SCHEMBL10662145

SCHEMBL10662145

Cc1cc2c(-c3ccccc3F)noc2c(Br)c1OCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ GABRA5 P31644 2/20 0.36
▸ FFAR1 O14842 3/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ACLY P53396 1/20 0.34

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
SCHEMBL10659132 0.88 HIF1A (0.41) PPARDGPBAR1FFAR1PTGS1PTPN1
Brocrinat SCHEMBL29452050 0.81 PPARG (0.43) PPARGPPARDPPARAFFAR1PTPN1
Brocrinat SCHEMBL636178 0.81 PPARG (0.43) PPARGPPARDPPARAFFAR1PTPN1
SCHEMBL10657153 0.79 HIF1A (0.42) PPARDGPBAR1FFAR1PTGS1ALOX5AP
SCHEMBL10662754 0.76 FHIT (0.47) PPARGPPARDPPARAFFAR1NPC1
SCHEMBL10663597 0.73 PPARG (0.45) PPARGPPARDPPARAFFAR1ALOX5AP
SCHEMBL10655898 0.73 KMT2A (0.38) PPARDGPBAR1GABRA5FFAR1PTGS1
SCHEMBL10660502 0.73 PKM (0.45) FFAR1PTPN1NPC1ALOX5APFEN1
SCHEMBL10662925 0.72 PPARG (0.40) PPARGPPARDPPARAGABRA5FFAR1
SCHEMBL10656083 0.72 PPARG (0.43) PPARGPPARDPPARAFFAR1ALOX5AP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 — — US disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 — — US disclosed
EP-0002666-B1 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-17 — — EP disclosed
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