SCHEMBL6490922

SCHEMBL6490922

COc1ccccc1-c1ccc(CCC(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.58
FFAR4 Q5NUL3 5/20 0.52
ALOX5 P09917 2/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50
PPARD Q03181 1/20 0.50
PLA2G4A P47712 1/20 0.49
MME P08473 1/20 0.49
MMEL1 Q495T6 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
RXRA P19793 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3677264 0.84 FFAR1 (0.66) FFAR1FFAR4PPARDMMEMMEL1
SCHEMBL3670702 0.83 FFAR1 (0.76) FFAR1FFAR4RXRA
SCHEMBL8984877 0.83 FFAR1 (0.57) FFAR1FFAR4ALOX5TP53MDM2
SCHEMBL7725124 0.82 FFAR1 (0.58) FFAR1FFAR4TP53MDM2PLA2G4A
SCHEMBL347209 0.81 FFAR4 (0.61) FFAR1FFAR4ALOX5PLA2G4AKDM4E
SCHEMBL30488611 0.80 FFAR1 (0.55) FFAR1FFAR4ALOX5PLA2G4ATRPV1
SCHEMBL21222812 0.80 FFAR1 (0.55) FFAR1FFAR4ALOX5PLA2G4ATRPV1
Hydrochloric Acid SCHEMBL3225386 0.80 FFAR4 (0.59) FFAR1FFAR4ALOX5PLA2G4AKDM4E
SCHEMBL5296276 0.79 FFAR1 (0.55) FFAR1FFAR4TP53MDM2PPARD
SCHEMBL17537957 0.78 POLB (0.54) FFAR1FFAR4ALOX5PPARDPLA2G4A

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-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed