SCHEMBL27884

SCHEMBL27884

COc1ccc(Cc2ccc(OC)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.81
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
IDO1 P14902 3/20 0.64
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
AGXT P21549 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
CYP2D6 P10635 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1425001 1.00 LTA4H (0.81) LTA4HCA12CA1CA2CA7
Ammonia Solution, Strong SCHEMBL20919857 0.97 LTA4H (0.77) LTA4HCA12CA1CA2CA7
SCHEMBL22451382 0.92 LTA4H (0.71) LTA4HCA12CA1CA2CA7
SCHEMBL9235879 0.92 LTA4H (0.71) LTA4HCA12CA1CA2CA7
SCHEMBL6059611 0.92 LTA4H (0.71) LTA4HCA12CA1CA2CA7
SCHEMBL24321390 0.92 LTA4H (0.71) LTA4HCA12CA1CA2CA7
SCHEMBL570480 0.90 LTA4H (1.00) LTA4HCA12CA1CA2CA7
SCHEMBL3409810 0.90 ACHE (0.71) LTA4HCA12CA1CA2CA7
SCHEMBL3799065 0.90 LTA4H (0.68) LTA4HCA12CA1CA2CA7
SCHEMBL14880495 0.88 LTA4H (0.65) LTA4HCA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4965 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151188-A1 GREEN SYNTHESIS METHOD OF ANTIVIRAL DRUG INTERMEDIATE 上海皓元医药股份有限公司 2023-08-17 WO claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
US-20200223860-A1 THE TOTAL SYNTHESIS OF GLUCOSEPANE AND RELATED CHEMICAL REACTIONS, COMPOUNDS AND COMPOSITIONS AND OBTAINED THEREFROM AND METHODS OF TREATMENT UNIV YALE (US) 2020-07-16 US claimed
EP-2776382-B1 18F-SACCHARIDE-FOLATES Merck & Cie (CH) 2018-09-19 EP claimed
EP-3064524-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2018-09-12 EP claimed
US-9708350-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-18 US claimed
EP-3064524-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END Shin-Etsu Chemical Co., Ltd. (JP) 2016-09-07 EP claimed
US-20160159831-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-09 US claimed
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN 2Y-CHEM, LTD. (CN) 2015-10-01 US claimed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US claimed
US-4193917-A LACTAM COMPOUND USED AS INTERMEDIATE GLAXO LABORATORIES, LIMITED (GB) 1980-03-18 US claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-4145538-A 3-Carbamyloxymethyl-cephalosporins ELI LILLY AND COMPANY (US) 1979-03-20 US claimed
US-4118483-A Peptides having gonadoliberin activity and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US claimed
US-4117117-A TRIDECAPETIDE HAVING GASTRIN EFFECT MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1978-09-26 US claimed
US-4092306-A Oxidation of hydrazones to the corresponding diazo compounds in the presence of a phase transfer and an oxidation catalyst which is iodine, an iodide or an iodonium salt GLAXO LABORATORIES LIMITED (EN) 1978-05-30 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3953437-A Process of preparing cephalosporanic acid ester derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 US claimed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 US claimed
US-3935198-A BY HEATING THE PENICILLIN SULFOXIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 US claimed