SCHEMBL29140655

SCHEMBL29140655

O=C(O)c1cc(Oc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ LPAR1 Q92633 1/20 0.42
▸ LPAR5 Q9H1C0 1/20 0.42
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RBP4 P02753 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ AR P10275 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TAS2R14 Q9NYV8 2/20 0.38

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
SCHEMBL29140668 0.87 POLB (0.43) KDM4EALDH1A1HPGDTAS2R14STK39
SCHEMBL29962860 0.86 MEN1 (0.43) ARKDM4ESTK39
SCHEMBL9151921 0.86 MEN1 (0.43) ARKDM4ESTK39
SCHEMBL3176700 0.85 ASPH (0.41) KDM4EALDH1A1HPGDTAS2R14
SCHEMBL9152486 0.84 POLB (0.42) ARKDM4EALDH1A1HPGDTAS2R14
SCHEMBL29962893 0.84 POLB (0.42) ARKDM4EALDH1A1HPGDTAS2R14
SCHEMBL29962299 0.80 AKR1C2 (0.40) RXRARXRBRXRG
SCHEMBL9251468 0.80 AKR1C2 (0.40) RXRARXRBRXRG
SCHEMBL29088055 0.78 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGLPAR1
SCHEMBL9139074 0.77 HTT (0.57) MRGPRX4RXRARXRBRXRGPPARG

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
CN-117202984-A Polyimide porous film 东京应化工业株式会社 2023-12-08 — — CN disclosed
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