SCHEMBL5854575

SCHEMBL5854575

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
HTR2B P41595 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
FFAR1 O14842 2/20 0.31
HTR1A P08908 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
SCHEMBL5854950 0.97 PTPN1 (0.32) PTPN1HTR2BSIGMAR1TMEM97PPARG
SCHEMBL5853765 0.96 PTPN1 (0.32) PTPN1HTR2BSIGMAR1TMEM97PPARG
SCHEMBL5856095 0.94 MAOB (0.33) PTPN1HTR2BSIGMAR1TMEM97PPARG
SCHEMBL5857347 0.91 PTPN1 (0.35) PTPN1HTR2BSIGMAR1TMEM97PPARG
SCHEMBL7805867 0.89 PPARG (0.33) PTPN1PPARGPPARDFFAR1
SCHEMBL5857148 0.88 EGFR (0.33) PTPN1PPARGPPARDFFAR1
SCHEMBL5854864 0.87
SCHEMBL5855298 0.85 NTSR1 (0.30)
SCHEMBL6791071 0.84 HTR1A (0.32) HTR2BSIGMAR1HTR1A
SCHEMBL27560379 0.83 PTPN1 (0.35) PTPN1HTR2BSIGMAR1TMEM97PPARG

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 1 patent. 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