Benzene

Benzene

SCHEMBL1532355

Cc1cc2nccc(OCC(=O)O)c2cc1F.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PKM P14618 1/20 0.40
SRC P12931 1/20 0.39
TGFBR1 P36897 1/20 0.39
FFAR1 O14842 7/20 0.39
HTT P42858 1/20 0.38
PPARD Q03181 4/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL27294586 0.79 ACHE (0.41) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL15309635 0.78 SRC (0.55) POLBSMN1; SMN2SRCTGFBR1
SCHEMBL28659540 0.78 PKM (0.54) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL29878298 0.78 PKM (0.54) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL1532354 0.77 PPARA (0.48) KDM4ESRCTGFBR1PPARGPPARA
SCHEMBL9799138 0.76 TDP1 (0.50) KDM4EALDH1A1HPGDTDP1PTGDR2
SCHEMBL2112736 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL4299513 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL28670159 0.73 LMNA (0.62) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL29878581 0.73 LMNA (0.62) KDM4EALDH1A1HPGDPOLBSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4662777-B2 2011-03-30 JP claimed
JP-2006511519-A 2006-04-06 JP claimed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP claimed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO claimed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed