SCHEMBL28201393

SCHEMBL28201393

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC(C#N)[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.60
AR P10275 6/20 0.60
SHBG P04278 5/20 0.60
LMNA P02545 3/20 0.60
HSD17B10 Q99714 3/20 0.60
NR3C1 P04150 2/20 0.60
PGR P06401 2/20 0.60
SERPINA6 P08185 2/20 0.60
CYP3A4 P08684 2/20 0.60
TSHR P16473 2/20 0.60
SNCA P37840 2/20 0.60
CACNA1C Q13936 2/20 0.60
CYP51A1 Q16850 2/20 0.60
GPBAR1 Q8TDU6 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
OR51E2 Q9H255 1/20 0.60
ESR2 Q92731 4/20 0.55
ESR1 P03372 2/20 0.49

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
SCHEMBL2554594 0.89 CYP19A1 (0.60) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL9436548 0.88 CYP19A1 (0.59) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL13752956 0.86 CYP19A1 (0.68) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL527919 0.86 CYP19A1 (0.68) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL9420189 0.86 CYP19A1 (0.68) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL4111278 0.86 CYP19A1 (0.68) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL4419947 0.86 CYP19A1 (0.68) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL4111276 0.86 CYP19A1 (0.68) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL28290476 0.85 CYP19A1 (0.67) CYP19A1ARSHBGLMNAHSD17B10
SCHEMBL108648 0.84 CYP19A1 (0.65) CYP19A1ARSHBGLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108096192-A Proliposome testosterone preparation 健康科学西部大学 2018-06-01 CN disclosed
CN-104780914-B Proliposomal testosterone formulations 健康科学西部大学 2018-02-09 CN disclosed