SCHEMBL9622951

SCHEMBL9622951

C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.68
CYP1B1 Q16678 1/20 0.56
CYP17A1 P05093 3/20 0.54
SRD5A2 P31213 1/20 0.48
ESR1 P03372 1/20 0.47
SHBG P04278 1/20 0.47
SERPINA6 P08185 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL27311396 1.00 CYP19A1 (0.68) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL9622954 1.00 CYP19A1 (0.68) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL3130653 0.88 CYP17A1 (0.69) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL27648561 0.88 CYP17A1 (0.69) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL5086100 0.86 CYP19A1 (0.65) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL5086095 0.86 CYP19A1 (0.65) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL5493314 0.84 CYP19A1 (0.73) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL5499393 0.84 CYP19A1 (0.77) CYP19A1CYP1B1CYP17A1SRD5A2ESR1
SCHEMBL11054839 0.82 CYP19A1 (0.64) CYP19A1CYP1B1CYP17A1SRD5A2
SCHEMBL5479309 0.82 CYP19A1 (0.74) CYP19A1CYP1B1CYP17A1SRD5A2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175154-A Antiobesity, antidiabetic, antilipemic, anticholesterol agents RESEARCH CORPORATION TECHNOLOGIES, INC. 1992-12-29 US disclosed