SCHEMBL13588477

SCHEMBL13588477

C=C(C)C1CCC23OC2C(=O)C[C@@H](C)[C@]3(C)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 2/20 0.36

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
SCHEMBL26189394 1.00 CYP2C19 (0.40) CYP2C19CYP19A1
SCHEMBL27207751 1.00 CYP2C19 (0.40) CYP2C19CYP19A1
SCHEMBL26189395 0.85 CYP2C19 (0.35) CYP2C19
SCHEMBL21473304 0.83 CYP2C19 (0.36) CYP2C19
SCHEMBL13588474 0.77 CYP19A1 (0.36) CYP19A1
SCHEMBL21473201 0.75 CYP2C19 (0.32) CYP2C19
SCHEMBL21473200 0.75 CYP2C19 (0.32) CYP2C19
SCHEMBL22747925 0.75 CYP2C19 (0.33) CYP2C19
SCHEMBL29801495 0.75 CYP2C19 (0.33) CYP2C19
SCHEMBL22747923 0.75 CYP2C19 (0.33) CYP2C19

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
US-7629387-B2 Compounds for pest control and methods for their use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-12-08 US disclosed
US-7629387-B2 Compounds for pest control and methods for their use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-12-08 US disclosed
US-7230033-B2 Pest control compositions and methods for their use United States of America as represented by the Secretary of the Department of Health and Human Services, Center for Disease Control and Prevention (US) 2007-06-12 US disclosed