SCHEMBL8041633

SCHEMBL8041633

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
FKBP1A P62942 2/20 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
SCHEMBL1130647 0.84 POLB (0.43) TSHRCYP3A4POLB
SCHEMBL8041628 0.82 TSHR (0.38) TSHRCPN1CPB2TP53CYP3A4
SCHEMBL27909025 0.80 ALDH1A1 (0.43) TSHRPOLB
SCHEMBL4447340 0.79 ALDH1A1 (0.45) TSHRPOLB
SCHEMBL1562513 0.79 ALDH1A1 (0.45) TSHRPOLB
SCHEMBL6446367 0.79 ALDH1A1 (0.45) TSHRPOLB
SCHEMBL343037 0.78 NPSR1 (0.46) CYP3A4
SCHEMBL29800007 0.78 NPSR1 (0.46) CYP3A4
SCHEMBL8028287 0.77 ALDH1A1 (0.39) TSHRCYP3A4KDM4EPOLB
Methacrylic Acid SCHEMBL28345316 0.77 ALDH1A1 (0.43) TSHRPOLB

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