SCHEMBL7812199

SCHEMBL7812199

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCCCCCCCC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.39
PPARG P37231 13/20 0.39
FFAR1 O14842 10/20 0.39
PPARA Q07869 1/20 0.37
TSHR P16473 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
PTPN1 P18031 1/20 0.35
S1PR3 Q99500 1/20 0.35
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5854285 0.88 PTPN1 (0.36) PPARDPPARGFFAR1PPARAPTPN1
SCHEMBL5854607 0.88 PTPN1 (0.36) PPARDPPARGFFAR1PPARAPTPN1
SCHEMBL5854269 0.86 PTPN1 (0.35) PPARDPPARGFFAR1PTPN1HTR2B
SCHEMBL5854582 0.86 PPARG (0.34) PPARDPPARGFFAR1PPARAPTPN1
SCHEMBL5854163 0.86 PTPN1 (0.37) PPARDPPARGFFAR1PPARAPTPN1
SCHEMBL5855214 0.85 PTPN1 (0.35) PPARDPPARGFFAR1PTPN1HTR2B
SCHEMBL5853868 0.85 PTPN1 (0.34) PPARDPPARGFFAR1PTPN1HTR2B
SCHEMBL5856178 0.84 HTR2B (0.38) PPARDPPARGFFAR1PPARAPTPN1
SCHEMBL5854218 0.84 PTPN1 (0.33) PPARDPPARGFFAR1PTPN1HTR2B
SCHEMBL6788841 0.84 PPARG (0.34) PPARDPPARGFFAR1PPARAPTPN1

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-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO disclosed