SCHEMBL3885070

SCHEMBL3885070

CC(C)CCOc1c(N)cc(CC(C)C(=O)O)cc1-c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.40
▸ AKR1C2 P52895 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 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
▸ THRA P10827 2/20 0.37
▸ THRB P10828 2/20 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
SCHEMBL3883495 0.89 PLA2G10 (0.40) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3882491 0.87 THRA (0.53) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3882342 0.87 PPARG (0.39) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3896091 0.87 PPARG (0.42) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3886441 0.86 AKR1C3 (0.40) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3894677 0.85 AKR1C3 (0.43) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3883891 0.85 XDH (0.39) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3880893 0.84 FFAR1 (0.44) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3881788 0.84 PPARG (0.39) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL3884827 0.83 CCNC (0.48) AKR1C3AKR1C2PPARGPPARDPPARA

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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