SCHEMBL9496940

SCHEMBL9496940

CCCCCCCCCCCCCCCCC1(CO)CC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CYP19A1 P11511 2/20 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
SCHEMBL9496931 1.00 GAA (0.42) GAASIRT2CYP19A1
SCHEMBL14677339 0.87 CYP19A1 (0.41) CYP19A1
SCHEMBL22033434 0.85 SIRT2 (0.46) GAASIRT2CYP19A1
SCHEMBL4813024 0.71 SIRT2 (0.42) SIRT2CYP19A1
SCHEMBL11534270 0.68 CYP19A1 (0.42) CYP19A1
SCHEMBL7408970 0.67
SCHEMBL6077915 0.67 CYP19A1 (0.51) CYP19A1
SCHEMBL3201760 0.66 CYP19A1 (0.48) CYP19A1
Hexadecane SCHEMBL28112342 0.65 CRBN (0.58) CYP19A1
Dodecane SCHEMBL27509294 0.65 CRBN (0.58) CYP19A1

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
US-5208223-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
US-5144045-A Treatment of inflammatory related disorders AMERICAN CYANAMID COMPANY (US) 1992-09-01 US disclosed