SCHEMBL9614656

SCHEMBL9614656

CCC(=O)C(C)=CC1CC2CC(C1C)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.36
CYP17A1 P05093 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
EPHX2 P34913 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
SCHEMBL9791385 1.00 CYP19A1 (0.36) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL18492254 0.83 TDP1 (0.40) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL18492257 0.83 TDP1 (0.40) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL9614687 0.75 TDP1 (0.35) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL2852181 0.70 TDP1 (0.36) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL9184208 0.70 TDP1 (0.36) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL9187247 0.70 TDP1 (0.36) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL10881768 0.69 TDP1 (0.40) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL8152214 0.65 TDP1 (0.33) CYP19A1CYP17A1TDP1SIGMAR1SCN1A
SCHEMBL8152217 0.65 TDP1 (0.33) CYP19A1CYP17A1TDP1SIGMAR1SCN1A

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
JP-3294240-A None JP disclosed
JP-4108755-A None JP disclosed
JP-H04108755-A PINANE DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME TSUMURA & CO 1992-04-09 JP disclosed
JP-H03294240-A PINANE DERIVATIVE TSUMURA & CO 1991-12-25 JP disclosed