SCHEMBL8041628

SCHEMBL8041628

C=CC(=O)OC(CCCC)c1cccc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
THRB P10828 4/20 0.36
THRA P10827 2/20 0.36
HPGD P15428 1/20 0.35
FKBP1A P62942 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FKBP4 Q02790 1/20 0.33
FKBP5 Q13451 1/20 0.33
POLB P06746 1/20 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
SCHEMBL8044822 0.87 CPN1 (0.41) CPN1CPB2THRBFKBP1ATP53
SCHEMBL4595927 0.84 THRB (0.44) TSHRTHRBTHRAHPGDPOLB
SCHEMBL8041633 0.82 TSHR (0.39) TSHRCPN1CPB2FKBP1ATP53
SCHEMBL651280 0.80 THRB (0.46) TSHRTHRBTHRAHPGDPOLB
SCHEMBL9402077 0.79 THRB (0.48) THRBTHRAPOLB
SCHEMBL4970630 0.79 THRB (0.48) THRBTHRAPOLB
SCHEMBL8086548 0.79 THRB (0.48) THRBTHRAPOLB
SCHEMBL342568 0.79 THRB (0.48) THRBTHRAPOLB
SCHEMBL342683 0.77 NPSR1 (0.48) HPGDCYP3A4
SCHEMBL29799953 0.77 NPSR1 (0.48) HPGDCYP3A4

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