SCHEMBL13460992

SCHEMBL13460992

Cc1ccc(COc2ccc(-c3cccc(CC(=O)O)c3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.74
▸ FFAR4 Q5NUL3 3/20 0.60
▸ AKR1B1 P15121 1/20 0.60
▸ ANO1 Q5XXA6 1/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ NR1H2 P55055 2/20 0.53
▸ NR1H3 Q13133 2/20 0.53
▸ RXRA P19793 1/20 0.53
▸ MAOB P27338 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PPARD Q03181 1/20 0.51

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
SCHEMBL13460872 0.90 FFAR1 (0.68) FFAR1FFAR4AKR1B1PTGER4NR1H2
SCHEMBL1756354 0.88 MAOB (0.60) FFAR1FFAR4RXRAMAOBPPARD
SCHEMBL23296113 0.86 GRIN2D (0.57) FFAR1FFAR4AKR1B1
SCHEMBL15297882 0.85 MAOB (0.63) FFAR1MAOBPPARGPPARD
SCHEMBL3575842 0.83 FFAR1 (0.55) FFAR1FFAR4AKR1B1ANO1PTGER4
SCHEMBL4448605 0.83 FFAR1 (0.61) FFAR1FFAR4AKR1B1PTGER4PTGER3
SCHEMBL13460871 0.82 FFAR1 (0.60) FFAR1FFAR4AKR1B1MAOB
SCHEMBL13460991 0.82 PTGER4 (0.60) FFAR1FFAR4AKR1B1PTGER4PTGER3
SCHEMBL3418553 0.82 FFAR1 (0.55) FFAR1FFAR4AKR1B1ANO1NR1H2
SCHEMBL13460836 0.82 MRGPRX4 (0.61) FFAR1FFAR4PPARGPPARD

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
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