SCHEMBL8038786

SCHEMBL8038786

C=CC(=O)OCCc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.55
TSHR P16473 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 5/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.43
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
THRA P10827 1/20 0.40
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
ALOX5 P09917 4/20 0.39

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
SCHEMBL8038187 0.88 ALDH1A1 (0.54) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL28111184 0.86 THRB (0.48) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL3691364 0.83 THRB (0.46) THRBTSHRALDH1A1HSD17B10TP53
Hydrochloric Acid SCHEMBL27808631 0.83 THRB (0.54) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL30775445 0.82 THRB (0.57) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL28338758 0.82 THRB (0.57) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL961984 0.82 THRB (0.57) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL3633964 0.81 THRB (0.45) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL29716499 0.81 THRB (0.55) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL145662 0.81 THRB (0.55) THRBTSHRALDH1A1HSD17B10TP53

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed