SCHEMBL3886441

SCHEMBL3886441

CC(Cc1cc(N)c(OCC(C)C(C)C)c(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PLA2G10 O15496 3/20 0.39
PLA2G2A P14555 3/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
PLA2G12B Q9BX93 1/20 0.39
PLA2G12A Q9BZM1 1/20 0.39
PLA2G2F Q9BZM2 1/20 0.39
PLA2G3 Q9NZ20 1/20 0.39
PLA2G2E Q9NZK7 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL3880464 0.87 FFAR4 (0.44) AKR1C3AKR1C2FFAR1FFAR4SLC6A2
SCHEMBL3885070 0.86 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3883495 0.85 PLA2G10 (0.40) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3882989 0.85 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3880893 0.84 FFAR1 (0.44) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3894659 0.83 CCNC (0.48) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL3882310 0.83 TPH1 (0.44) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3896091 0.83 PPARG (0.42) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3892394 0.83 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B
SCHEMBL3882342 0.83 PPARG (0.39) AKR1C3AKR1C2PLA2G10PLA2G2APLA2G1B

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