SCHEMBL8853

SCHEMBL8853

COc1cc(CO[C]=O)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 2/20 0.38
CALM1 P0DP23 2/20 0.38
AKR1B1 P15121 1/20 0.38
DAO P14920 1/20 0.38
PTGS2 P35354 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ENPP2 Q13822 1/20 0.36

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
SCHEMBL1828436 0.81 IDO1 (0.61) ABCB1
SCHEMBL6341 0.79 IDO1 (0.55) POLBCALM1
SCHEMBL8394 0.76 PTGS2 (0.53) CYP19A1ABCB1PTGS2
SCHEMBL2093137 0.76 CYP3A4 (0.41) ALDH1A1
SCHEMBL7889540 0.75 ALDH1A1 (0.58) ALDH1A1CYP19A1ABCB1CALM1AKR1B1
SCHEMBL31052 0.75 ALDH1A1 (0.58) ALDH1A1CYP19A1ABCB1CALM1AKR1B1
SCHEMBL2092427 0.75 NLRP3 (0.35) DAO
SCHEMBL1191506 0.74 PARP10 (0.40) ALDH1A1
SCHEMBL2121275 0.74 ALDH1A1 (0.50) ALDH1A1CYP19A1POLBKMT2ACALM1
SCHEMBL16098550 0.73 ALDH1A1 (0.55) ALDH1A1CYP19A1ABCB1ENPP2

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 2710 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210300932-A1 CYCLIC PEPTIDES TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-09-30 US claimed
US-11072616-B2 Cyclic peptides targeting alpha-4-beta-7 integrin UNIVERSITE DE MONTREAL (CA) 2021-07-27 US claimed
WO-2020022892-A1 TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-30 WO claimed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US claimed
EP-2098508-B1 Processes for preparing cyclic derivatives which are modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP claimed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US claimed
EP-1472372-A4 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS AMBERGEN INC (US) 2008-08-13 EP claimed
US-7288372-B2 Methods for the preparation of chemically misaminoacylated tRNA via protective groups AMBERGEN, INC. (US) 2007-10-30 US claimed
EP-1472372-A1 METHODS FOR THE PREPARATION OF CHEMICALLY MISAMINOACYLATED tRNA VIA PROTECTIVE GROUPS Ambergen, Inc. (US) 2004-11-03 EP claimed
EP-0170280-B1 NOVEL INTERMEDIATES AND PROCESS FOR THE PREPARATION OF 3-ACYLAMINO-1-HYDROXY-2-AZETIDINONES E.R. Squibb & Sons, Inc. (US) 1990-12-05 EP claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
US-4810817-A ARTIFICIAL SWEETENERS W. R. GRACE & CO. (US) 1989-03-07 US claimed
US-4710583-A ENZYMATIC COUPLING OF PHENYLSERINE WITH ASPARTIC ACID; HYDROGENATION W. R. GRACE & CO. (US) 1987-12-01 US claimed
EP-0220923-A2 Dipeptides and process W.R. Grace & Co.-Conn. (US) 1987-05-06 EP claimed
US-4581170-A N-hydroxyl protecting groups and process and intermediates for the preparation of 3-acylamino-1-hydroxy-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1986-04-08 US claimed
EP-0170280-A1 Novel intermediates and process for the preparation of 3-acylamino-1-hydroxy-2-azetidinones E.R. Squibb & Sons, Inc. (US) 1986-02-05 EP claimed
US-4119493-A IN PRESENCE OF METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-10-10 US claimed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US claimed
US-4086136-A Process for producing a peptide using a serine or thiol proteinase (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-04-25 US claimed