SCHEMBL3894657

SCHEMBL3894657

CC(Cc1ccc(OCCOc2ccc(Cl)cc2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.46
PPARD Q03181 5/20 0.46
PTGS2 P35354 1/20 0.41
PPARG P37231 5/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
P2RX3 P56373 3/20 0.38
ENPP2 Q13822 1/20 0.37
HDAC1 Q13547 2/20 0.37
MAP3K11 Q16584 1/20 0.37
PLA2G10 O15496 3/20 0.36
PLA2G2A P14555 3/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36

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
SCHEMBL3886809 0.92 PTGS2 (0.42) PPARAPPARDPTGS2PPARGP2RX3
SCHEMBL3884645 0.92 PTGS2 (0.43) PPARAPPARDPTGS2PPARGCHRNB4
SCHEMBL3891560 0.90 PTGER1 (0.44) PPARAPTGS2PPARGP2RX3ENPP2
SCHEMBL3882300 0.88 PTGS2 (0.45) PPARAPPARDPTGS2PPARGCHRNB4
SCHEMBL3889372 0.87 PPARD (0.44) PPARAPPARDPTGS2PPARGENPP2
SCHEMBL3885377 0.86 CHRNB4 (0.42) PPARAPPARDPTGS2PPARGCHRNB4
SCHEMBL3883391 0.85 PTGS2 (0.41) PPARAPPARDPTGS2PPARGCHRNB4
SCHEMBL3891017 0.85 PTGS2 (0.43) PTGS2P2RX3ENPP2MAP3K11PLA2G10
SCHEMBL3884148 0.85 ENPP2 (0.39) PPARAPPARDPTGS2PPARGENPP2
SCHEMBL3882225 0.84 FFAR1 (0.48) PPARAPPARGCHRNB4CHRNA3CHRNA7

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed