SCHEMBL3894677

SCHEMBL3894677

CC(Cc1cc(N)c(OCCc2ccccc2F)c(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.43
▸ AKR1C2 P52895 3/20 0.43
▸ PTPN1 P18031 5/20 0.41
▸ PPARD Q03181 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTPN2 P17706 3/20 0.37
▸ CDC25B P30305 3/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ PLA2G10 O15496 3/20 0.36
▸ PLA2G2A P14555 3/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G5 P39877 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ PLA2G12B Q9BX93 1/20 0.36
▸ PLA2G12A Q9BZM1 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
SCHEMBL3884288 0.86 AKR1C3 (0.41) AKR1C3AKR1C2PTPN1PPARDPPARA
SCHEMBL3885231 0.86 FFAR4 (0.49) PTGER4PTGER3FFAR4FFAR1
SCHEMBL3883495 0.86 PLA2G10 (0.40) AKR1C3AKR1C2PPARDPPARAPPARG
SCHEMBL3882342 0.85 PPARG (0.39) AKR1C3AKR1C2PPARDPPARAPPARG
SCHEMBL3885070 0.85 AKR1C3 (0.40) AKR1C3AKR1C2PPARDPPARAPPARG
SCHEMBL3881338 0.84 PTPN1 (0.46) AKR1C3AKR1C2PTPN1PPARDPPARA
SCHEMBL3889425 0.84 CCNC (0.48) AKR1C3AKR1C2PTPN1PTPN2CDC25B
SCHEMBL3881788 0.83 PPARG (0.39) AKR1C3AKR1C2PPARDPPARAPPARG
SCHEMBL3896091 0.82 PPARG (0.42) AKR1C3AKR1C2PPARDPPARAPPARG
SCHEMBL3886441 0.81 AKR1C3 (0.40) AKR1C3AKR1C2PPARDPPARAPPARG

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
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