SCHEMBL11299463

SCHEMBL11299463

C=C(C)C(=O)OC(C)OC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.47
CYP19A1 P11511 4/20 0.47
PRKCA P17252 1/20 0.44
CA2 P00918 1/20 0.40
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8489888 0.94 PRKCA (0.46) CYP17A1CYP19A1PRKCACA2SCN1A
SCHEMBL18315204 0.86 L3MBTL1 (0.42) CYP17A1CYP19A1ALDH1A1NPSR1
SCHEMBL20730932 0.85 CYP17A1 (0.50) CYP17A1CYP19A1PRKCACA2SCN1A
SCHEMBL1322672 0.82 PRKCA (0.44) CYP17A1CYP19A1PRKCACA2MAPT
SCHEMBL11299458 0.80 PRKCA (0.44) CYP17A1CYP19A1PRKCACA2SCN1A
SCHEMBL11899772 0.80 SCN1A (0.41) CYP17A1CYP19A1PRKCACA2SCN1A
SCHEMBL2740746 0.79 CYP17A1 (0.35) CYP17A1CYP19A1CA2MAPTALDH1A1
SCHEMBL13963907 0.79 CYP17A1 (0.39) CYP17A1CYP19A1PRKCACA2
SCHEMBL13963908 0.79 PRKCA (0.36) CYP17A1CYP19A1PRKCACA2
SCHEMBL11899774 0.78 SCN1A (0.41) CYP17A1CYP19A1PRKCACA2SCN1A

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-0032905-A4 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS. FOLEY WILLIAM M JUN 1981-08-27 EP disclosed
EP-0032905-A1 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS FOLEY, Jr., William M. (US) 1981-08-05 EP disclosed
WO-1980002840-A1 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS FOLEY W 1980-12-24 WO disclosed