SCHEMBL5854989

SCHEMBL5854989

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCOc2ccc(CCCO)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.34
PPARD Q03181 5/20 0.34
FFAR1 O14842 3/20 0.34
MAOB P27338 5/20 0.34
PTPN1 P18031 1/20 0.34
MAOA P21397 3/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PPARA Q07869 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5854700 0.94 MEN1 (0.35) PPARGPPARDFFAR1MAOBPTPN1
SCHEMBL5854163 0.91 PTPN1 (0.37) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854043 0.90 PTPN1 (0.37) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854607 0.89 PTPN1 (0.36) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5854285 0.89 PTPN1 (0.36) PPARGPPARDFFAR1PTPN1HTR2B
SCHEMBL5855935 0.88 PTPN1 (0.38) PPARGPPARDFFAR1MAOBPTPN1
SCHEMBL5857317 0.87 MAOB (0.35) PPARGPPARDFFAR1MAOBPTPN1
SCHEMBL5856095 0.86 MAOB (0.33) PPARGPPARDFFAR1MAOBPTPN1
SCHEMBL5854712 0.85 PTPN1 (0.33) PTPN1HTR2BTMEM97SIGMAR1
SCHEMBL5855996 0.85 PPARA (0.35) PPARGPPARDFFAR1MAOBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
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