SCHEMBL5857347

SCHEMBL5857347

COCOc1ccc2c(c1)OCC(C)(c1ccc(O)cc1)C2CCCCCCCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
FFAR1 O14842 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 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
SCHEMBL5853765 0.95 PTPN1 (0.32) PTPN1HTR2BTMEM97SIGMAR1FFAR1
SCHEMBL5854950 0.94 PTPN1 (0.32) PTPN1HTR2BTMEM97SIGMAR1FFAR1
SCHEMBL5854575 0.91 PTPN1 (0.33) PTPN1HTR2BTMEM97SIGMAR1FFAR1
SCHEMBL7805867 0.90 PPARG (0.33) PTPN1FFAR1PPARGPPARD
SCHEMBL5857148 0.90 EGFR (0.33) PTPN1FFAR1PPARGPPARD
SCHEMBL5854864 0.87
SCHEMBL5856095 0.86 MAOB (0.33) PTPN1HTR2BTMEM97SIGMAR1FFAR1
SCHEMBL6791071 0.85 HTR1A (0.32) HTR2BSIGMAR1
SCHEMBL5855529 0.83 RAB9A (0.34) FFAR1PPARGPPARD
SCHEMBL5855935 0.83 PTPN1 (0.38) PTPN1HTR2BTMEM97SIGMAR1FFAR1

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