SCHEMBL13433653

SCHEMBL13433653

O=C(O)Cc1cccc(-c2ccc(OCC(O)COc3cccc(Cl)c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FFAR1 O14842 3/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ GPR34 Q9UPC5 2/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ PTGFR P43088 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ ADRB3 P13945 2/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ CASR P41180 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43

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
SCHEMBL3416365 0.92 CYP1A2 (0.50) MEN1KMT2AFFAR1PPARGGPR34
SCHEMBL3416680 0.90 PLA2G4B (0.45) FFAR1PPARDNR1H4AKR1B1FFAR4
SCHEMBL3416099 0.89 FFAR1 (0.52) FFAR1PPARGPPARDPTGER3AKR1B1
SCHEMBL3418795 0.87 PPARD (0.47) MEN1KMT2APPARDNR1H4TBXA2R
SCHEMBL3411776 0.87 MEN1 (0.43) MEN1KMT2AFFAR1PPARGPPARD
SCHEMBL3413257 0.85 PPARD (0.48) FFAR1PPARGPPARDTBXA2RPTGER1
SCHEMBL3411834 0.84 NR1H2 (0.55) FFAR1PPARDGPR34FFAR4RXRA
SCHEMBL3411927 0.83 SCN9A (0.45) PPARDNR1H4TBXA2RPTGER1RXRA
SCHEMBL3416517 0.82 NR1H2 (0.53) MEN1KMT2AFFAR1NR1H4AKR1B1
SCHEMBL3416662 0.82 FFAR1 (0.60) FFAR1PPARGPPARDRXRA

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 2 patents. 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
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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