SCHEMBL3880893

SCHEMBL3880893

Cc1ccc(COc2c(N)cc(CC(C)C(=O)O)cc2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
FFAR4 Q5NUL3 2/20 0.41
PLA2G10 O15496 3/20 0.40
PLA2G2A P14555 3/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
PLA2G12B Q9BX93 1/20 0.40
PLA2G12A Q9BZM1 1/20 0.40
PLA2G2F Q9BZM2 1/20 0.40
PLA2G3 Q9NZ20 1/20 0.40
PLA2G2E Q9NZK7 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PPARG P37231 2/20 0.39

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
SCHEMBL3882342 0.91 PPARG (0.39) FFAR1FFAR4PLA2G10PLA2G2APLA2G1B
SCHEMBL3882935 0.89 AKR1C3 (0.43) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3891606 0.85 PTGER1 (0.39) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3883497 0.85 THRA (0.55) FFAR1FFAR4THRATHRB
SCHEMBL3886441 0.84 AKR1C3 (0.40) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3885070 0.84 AKR1C3 (0.40) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3883495 0.83 PLA2G10 (0.40) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3887970 0.82 CCNC (0.48) FFAR1FFAR4THRATHRB
SCHEMBL3882310 0.81 TPH1 (0.44) FFAR1PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL3896091 0.81 PPARG (0.42) FFAR1PTGER1PTGER4PTGER3PTGER2

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