SCHEMBL7123532

SCHEMBL7123532

O=[C]Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.55
SRD5A2 P31213 3/20 0.55
FFAR1 O14842 3/20 0.52
TSHR P16473 1/20 0.50
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
PLA2G2A P14555 1/20 0.47
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL6799652 0.80 APP (0.58) FFAR1MAOAFFAR4
SCHEMBL23098203 0.80 SRD5A2 (0.70) LTA4HSRD5A2FFAR1TSHRPLA2G2A
SCHEMBL9906839 0.80 SRD5A2 (0.70) LTA4HSRD5A2FFAR1TSHRPLA2G2A
SCHEMBL2224 0.79
SCHEMBL6643438 0.79 LTA4H (0.55) LTA4HSRD5A2FFAR1TSHRPLA2G2A
SCHEMBL625835 0.79 LTA4H (0.55) LTA4HSRD5A2FFAR1TSHRPLA2G2A
SCHEMBL6805048 0.79 LMNA (0.58) LTA4HSRD5A2FFAR1MAOAFFAR4
SCHEMBL10269397 0.78 SRD5A2 (0.68) LTA4HSRD5A2FFAR1TSHRNR1H2
SCHEMBL29073219 0.77 CALM1 (0.50) TSHRPLA2G2A
SCHEMBL28377926 0.77 CALM1 (0.50) FFAR1TSHRFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015116968-A1 COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION CASE WESTERN RESERVE UNIVERSITY (US) 2015-08-06 WO disclosed
EP-1472208-A1 NOVEL 3-ARYL-2,5-DIHYDROXY-1,4-BENZOQUINONE DERIVATIVES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-11-03 EP disclosed
CN-1153765-C 4-aryl-1-phenylalkyl-1, 2,3, 6-tetrahydropyridines having neurotrophic and protective activity ��ŵ�Ѻϳ�ʵ���� 2004-06-16 CN disclosed
WO-2003066561-A1 NOVEL 3-ARYL-2,5-DIHYDROXY-1,4-BENZOQUINONE DERIVATIVES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2003-08-14 WO disclosed
CN-1189154-A 4-aryl-1-phenylalkyl-1,2,3,6-Tetrahydropyridines having neurotrophic and neuroprotective activity SANOFI SA (FR) 1998-07-29 CN disclosed