SCHEMBL14288477

SCHEMBL14288477

CCCC/C=C(/c1ccccc1)c1nccs1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.57
RBBP9 O75884 1/20 0.41
PLA2G4A P47712 1/20 0.40
CES1 P23141 1/20 0.39
TBXA2R P21731 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6897257 0.78 SIGMAR1 (0.54) TBXAS1TBXA2RSIGMAR1
SCHEMBL6142534 0.76 RBBP9 (0.46) TBXAS1RBBP9PLA2G4ACES1
SCHEMBL6142531 0.76 RBBP9 (0.46) TBXAS1RBBP9PLA2G4ACES1
SCHEMBL14288482 0.75 HDAC1 (0.50) TBXAS1TBXA2RSIGMAR1
SCHEMBL8094515 0.73 SIGMAR1 (0.53) TBXAS1TBXA2RSIGMAR1
SCHEMBL9528067 0.72 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9528079 0.72 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9530856 0.72 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL11229130 0.72 TBXAS1 (0.54) TBXAS1SIGMAR1
SCHEMBL11792681 0.72 TBXAS1 (0.54) TBXAS1SIGMAR1

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-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed