SCHEMBL9330800

SCHEMBL9330800

C=CC(=O)OCCCCCCCCCCCCCCBr

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.79
ALDH1A1 P00352 4/20 0.79
CYP3A4 P08684 2/20 0.79
HPGD P15428 1/20 0.59
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 3/20 0.39
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.35
FAAH O00519 2/20 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
SCHEMBL4849412 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4851078 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2396351 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1678989 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12586916 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4852915 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4850582 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9305976 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4850920 0.98 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
Trimethylammonium SCHEMBL20293734 0.93 TSHR (0.68) 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-0296571-B1 Method of producing a liquid crystal optical element IDEMITSU KOSAN CO (JP) 1994-03-30 EP disclosed
US-4904065-A Liquid crystal optical element and method of producing the same using ferroelectric polymer liquid crystal IDEMITSU KOSAN CO., LTD. (JP) 1990-02-27 US disclosed
EP-0296571-A2 Method of producing a liquid crystal optical element IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-12-28 EP disclosed