SCHEMBL11069348

SCHEMBL11069348

CCCCC#CCCCNc1ccccc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGS2 P35354 4/20 0.45
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
CXCL8 P10145 5/20 0.43
NR1H4 Q96RI1 2/20 0.42
TTR P02766 2/20 0.42
AKR1B10 O60218 1/20 0.42
UGT1A9 O60656 1/20 0.42

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
SCHEMBL4730302 0.89 PTGS2 (0.51) CYP2C9PTGS2CYSLTR2CYSLTR1CXCL8
SCHEMBL168558 0.87 CYSLTR2 (0.51) PTGS2CYSLTR2CYSLTR1CXCL8NR1H4
SCHEMBL9780647 0.86 CYSLTR2 (0.50) PTGS2CYSLTR2CYSLTR1CXCL8NR1H4
SCHEMBL11071781 0.83 PTGS2 (0.47) CYP2C9HSD17B10PTGS2CYSLTR2CYSLTR1
SCHEMBL11071696 0.82 CXCL8 (0.50) CYP2C9KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11069324 0.79 SOAT2 (0.49) CYP2C9KDM4ELMNACYP1A2CYP3A4
SCHEMBL11069327 0.79 SOAT2 (0.49) CYP2C9KDM4ELMNACYP1A2CYP3A4
SCHEMBL11065929 0.79 SOAT2 (0.49) CYP2C9KDM4ELMNACYP1A2CYP3A4
SCHEMBL11072836 0.79 SOAT2 (0.49) KDM4EMAPTHSD17B10CYSLTR2CYSLTR1
SCHEMBL11065936 0.79 SOAT2 (0.49) CYP2C9KDM4ELMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed