SCHEMBL5880684

SCHEMBL5880684

CC1(OC(=O)OC2(C)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 2/20 0.44
HSD11B1 P28845 5/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL13094606 0.90 CYP17A1 (0.41) CYP17A1CYP19A1HSD11B1
SCHEMBL26792873 0.88 CYP17A1 (0.40) CYP17A1CYP19A1HSD11B1
SCHEMBL24064303 0.88 CYP17A1 (0.40) CYP17A1CYP19A1HSD11B1
SCHEMBL5880685 0.84 CYP17A1 (0.43) CYP17A1CYP19A1HSD11B1SCN1ASCN2A
SCHEMBL439024 0.84 CYP17A1 (0.43) CYP17A1CYP19A1HSD11B1SCN1ASCN2A
SCHEMBL12847539 0.83 CYP17A1 (0.42) CYP17A1CYP19A1HSD11B1SCN1ASCN2A
SCHEMBL133979 0.83 CYP17A1 (0.42) CYP17A1CYP19A1HSD11B1SCN1ASCN2A
SCHEMBL3394712 0.82 CYP17A1 (0.37) CYP17A1CYP19A1
SCHEMBL13288279 0.81 CYP17A1 (0.44) CYP17A1CYP19A1HSD11B1SCN1ASCN2A
SCHEMBL7745860 0.81 CYP17A1 (0.41) CYP17A1CYP19A1HSD11B1SCN1ASCN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7108953-B2 Dissolution inhibitors in photoresist compositions for microlithography E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-09-19 US claimed
US-20050260519-A1 Dissolution inhibitors in photoresist compositions for microlithography E. I. DU PONT DE NEMOURS AND COMPANY 2005-11-24 US claimed
EP-1325387-A2 DISSOLUTION INHIBITORS IN PHOTORESIST COMPOSITIONS FOR MICROLITHOGRAPHY E.I. Dupont de Nemours and Company (US) 2003-07-09 EP claimed
WO-2002031595-A2 DISSOLUTION INHIBITORS IN PHOTORESIST COMPOSITIONS FOR MICROLITHOGRAPHY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-04-18 WO claimed