SCHEMBL11533748

SCHEMBL11533748

CC(=O)OC[C@]12CCCCC1=CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.74
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
SERPINA6 P08185 1/20 0.52
GUSB P08236 1/20 0.52
G6PD P11413 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52

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
SCHEMBL11533747 1.00 CYP19A1 (0.74) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL1428474 0.90 CYP19A1 (0.66) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11430619 0.87 CYP19A1 (0.64) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11430626 0.87 CYP19A1 (0.64) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11535322 0.86 CYP3A4 (0.67) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11531335 0.86 CYP19A1 (0.63) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11531342 0.86 CYP19A1 (0.63) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11535319 0.86 CYP3A4 (0.67) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL11531541 0.85 CYP19A1 (1.00) CYP19A1
SCHEMBL11531546 0.85 CYP19A1 (1.00) CYP19A1

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-4139617-A STEROIDS, ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1979-02-13 US disclosed