SCHEMBL8963456

SCHEMBL8963456

C=CC(=O)OCCCO[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL10606391 0.89 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3293446 0.85 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5835079 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28105549 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4596157 0.82 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9228399 0.81 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27329592 0.81 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11803424 0.81 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7101864 0.80 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL321925 0.79 TSHR (0.85) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0488627-B1 Oxygen permeable contact lens and method of manufacture therefor PILKINGTON BARNES HIND INC (US) 1996-02-14 EP disclosed
US-5170192-A Crosslinked interpenetrating network copolymers; addition polymerization PILKINGTON VISIONCARE, INC. (US) 1992-12-08 US disclosed
EP-0488627-A2 Oxygen permeable contact lens and method of manufacture therefor PARAGON VISION SCIENCES, INC. (US) 1992-06-03 EP disclosed