SCHEMBL9767861

SCHEMBL9767861

C[C@H]1CCC(C)(C)[C@@H]2CCC(=O)C[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.39
CYP19A1 P11511 9/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
OR51E2 Q9H255 1/20 0.38
SRD5A2 P31213 2/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
SERPINA6 P08185 1/20 0.34
NR3C2 P08235 1/20 0.34
CYP3A4 P08684 1/20 0.34
AR P10275 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL18740940 0.77 SHBG (0.41) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL9314092 0.76 CYP19A1 (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL14860281 0.76 CYP19A1 (0.35) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL18741025 0.73 SHBG (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL22443364 0.70 SHBG (0.39) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL22443225 0.70 SHBG (0.39) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL17988645 0.67 SHBG (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL6276753 0.67 SHBG (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL19449950 0.67 CYP19A1 (0.37) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL10261126 0.67 CYP19A1 (0.37) SHBGCYP19A1AKR1B10AKR1B1OR51E2

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-5051409-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed