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SCHEMBL8520541

SCHEMBL8520541

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2c2cccc(OCCCCCl)c2)cc1.COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2c2cccc(OCCCCI)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.33
▸ PPARD Q03181 10/20 0.33
▸ FFAR1 O14842 8/20 0.32
▸ HTR2B P41595 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL7592872 0.97 PPARG (0.35) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL7587937 0.96 PPARG (0.36) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL5854374 0.86 PTPN1 (0.35) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL7585408 0.81 PTPN1 (0.40) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL7587424 0.81 ESR1 (0.32) PPARGPPARD
SCHEMBL5855214 0.79 PTPN1 (0.35) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL5853930 0.77 PTPN1 (0.41) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL5856130 0.77 HRH3 (0.42) —
SCHEMBL5856132 0.76 ITGB3 (0.38) PPARGPPARDFFAR1HTR2BTMEM97
SCHEMBL8520859 0.75 PPARG (0.30) PPARGPPARD

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
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 — — EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 — — WO disclosed