SCHEMBL84040

SCHEMBL84040

COc1ccc(C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA12 O43570 1/20 0.61
CA14 Q9ULX7 1/20 0.61
TDP1 Q9NUW8 4/20 0.55
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.54
CYP3A4 P08684 1/20 0.52
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 2/20 0.50
SLC2A1 P11166 1/20 0.50
CYP1A2 P05177 1/20 0.48

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
SCHEMBL13778697 0.93 MEN1 (0.56) RAB9AMEN1KMT2ACA1CA2
SCHEMBL487342 0.93 RAB9A (0.56) RAB9AMEN1KMT2ACA1CA2
SCHEMBL130863 0.91 RAB9A (0.59) RAB9AMEN1KMT2ACA1CA2
Boric Acid SCHEMBL14874706 0.91 RAB9A (0.59) RAB9AMEN1KMT2ACA1CA2
SCHEMBL23742231 0.87 LTA4H (0.61) RAB9AMEN1KMT2ACA1CA2
SCHEMBL19222994 0.87 RAB9A (0.51) RAB9AMEN1KMT2ACA1CA2
SCHEMBL18608170 0.87 RELA (0.61) RAB9AALDH1A1TSHRCYP3A4NPC1
SCHEMBL22014949 0.87 SLC2A1 (0.55) RAB9AMEN1KMT2ACA1CA2
SCHEMBL2792867 0.87 RAB9A (0.71) RAB9AMEN1KMT2ATDP1MAPK1
Hydrochloric Acid SCHEMBL32690509 0.87 TDP1 (0.52) RAB9AMEN1KMT2ACA1CA2

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 2616 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105694221-B Efficient flame-retardant polyolefin composition 中山康诺德新材料有限公司 2018-07-03 CN claimed
CN-104306168-B Application of N-(4-chloro-2,5-dimethoxyphenyl)-5-isopropyl-2-methoxybenzenesulfonamide in promotion of hair growth 华东师范大学 2017-05-24 CN claimed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 US claimed
CN-105694221-A Efficient flame-retardant polyolefin composition 中山康诺德新材料有限公司 2016-06-22 CN claimed
US-20160037776-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2016-02-11 US claimed
CN-105308162-A Compounds for a controlled release of active molecules FIRMENICH & CIE 2016-02-03 CN claimed
EP-2595995-B1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2015-11-25 EP claimed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 US claimed
CN-104119921-A Etching paste composition and application thereof CHI MEI CORP 2014-10-29 CN claimed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 US claimed
WO-2012010633-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2012-01-26 WO claimed
US-20110033803-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US claimed
US-20100159392-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 US claimed
US-6495725-B2 USEFUL AS CHEMICAL INTERMEDIATES FOR PROSTAGLANDINS AND DRUGS CHISSO CORPORATION (JP) 2002-12-17 US claimed
US-20020061325-A1 Container for 4-allylanisole and analog scolytid pesticides MISSISSIPPI STATE UNIVERSITY 2002-05-23 US claimed
US-20020028958-A1 Process for the preparation of optically active enones and intermediates thereof JNC CORPORATION (JP) 2002-03-07 US claimed
US-6306913-B1 PESTICIDES FOR REPELLING CONIFER FEEDING BEETLES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-10-23 US claimed
US-5518757-A 4-allylanisole analog scolytid repellents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF AGRICULTURE (US) 1996-05-21 US claimed
US-4707161-A Lightfastness of dyeings obtained with acid dyes or metal complex dyes on polyamides: treatment with copper hydroxamates BASF AKTIENGESELLSCHAFT (DE) 1987-11-17 US claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed