SCHEMBL2320549

SCHEMBL2320549

COc1ccc(CC(=O)C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
CTBP2 P56545 1/20 0.53
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
LDHA P00338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49
GSK3B P49841 1/20 0.49
F2RL1 P55085 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.47

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
Water SCHEMBL11515624 0.98 HTT (0.58) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL18827708 0.83 HTT (0.58) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL3152379 0.83 HTT (0.58) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL11879153 0.81 HTT (0.56) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL9064975 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL4924884 0.81 F2RL1 (0.64) SMN1; SMN2ALDH1A1POLBNPC1F2RL1
SCHEMBL8306612 0.81 LMNA (0.50) SMN1; SMN2ALDH1A1CYP3A4TP53KDM4E
SCHEMBL11876987 0.80 HTT (0.54) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL3628705 0.79 HTT (0.68) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL9817167 0.79 HTT (0.53) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4

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

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966214-B1 SYNTHESIS OF COELENTERAZINE INT PAPER CO (US) 2023-12-13 EP disclosed
EP-2568953-A2 TRIAZINES AS REACTION ACCELERATORS Merck Patent GmbH (DE) 2013-03-20 EP disclosed
WO-2011141111-A2 TRIAZINES AS REACTION ACCELERATORS MERCK PATENT GMBH (DE) 2011-11-17 WO disclosed
EP-2352725-A1 QUINOXALINE-BASED LXR MODULATORS Wyeth LLC (US) 2011-08-10 EP disclosed
WO-2010054229-A1 QUINOXALINE-BASED LXR MODULATORS WYETH LLC (US) 2010-05-14 WO disclosed
EP-0914318-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1999-05-12 EP disclosed
WO-1997043267-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1997-11-20 WO disclosed
US-4161476-A α-Halo-2-oxo-1-azetidinemethane-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4052408-A OXYACETIC ACID COMPOUNDS AND PROCESS FOR THEIR MANUFACTURE CIBA-GEIGY CORPORATION (US) 1977-10-04 US disclosed