SCHEMBL11429970

SCHEMBL11429970

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.57
CYP3A4 P08684 4/20 0.56
PGR P06401 4/20 0.56
AR P10275 4/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
ADRA1A P35348 1/20 0.56
SHBG P04278 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 3/20 0.50
NR3C1 P04150 3/20 0.50
SERPINA6 P08185 2/20 0.50
TSHR P16473 2/20 0.50
SNCA P37840 2/20 0.50
CACNA1C Q13936 2/20 0.50
CYP51A1 Q16850 2/20 0.50
GPBAR1 Q8TDU6 2/20 0.50
SIGMAR1 Q99720 2/20 0.50

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
SCHEMBL3364701 0.86 CYP3A4 (0.73) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL2045019 0.86 CYP3A4 (0.73) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL2045021 0.86 CYP3A4 (0.73) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11104875 0.85 ALDH1A1 (0.63) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11104861 0.85 ALDH1A1 (0.63) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11425129 0.82 AR (0.53) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11439354 0.82 CYP19A1 (0.81) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11746471 0.81 PGR (0.51) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11776967 0.81 CYP19A1 (0.56) CYP19A1CYP3A4PGRARALDH1A1
SCHEMBL11225925 0.80 ALDH1A1 (0.60) CYP19A1CYP3A4PGRARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239681-A ENHANCE LIBIDO AND RELATED PSYCHIC ATTITUDES RICHARDSON-MERRELL INC. (US) 1980-12-16 US disclosed
US-4139617-A STEROIDS, ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1979-02-13 US disclosed
US-4087524-A Androst-4-en-19-ols for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-05-02 US disclosed
US-4071624-A Androst-4-en-19-ones for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-01-31 US disclosed
US-4022769-A LIBIDO ENHANCEMENT RICHARDSON-MERRELL INC. (US) 1977-05-10 US disclosed