SCHEMBL11429950

SCHEMBL11429950

CC1=C2CC[C@@H]3[C@@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(CO)CCC1=O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.76
TSHR P16473 1/20 0.64
THPO P40225 1/20 0.64
HIF1A Q16665 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CYP19A1 P11511 17/20 0.62
OR51E2 Q9H255 1/20 0.62

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
SCHEMBL11429945 1.00 CYP3A4 (0.76) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL10942772 0.88 CYP3A4 (0.81) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL10942767 0.88 CYP3A4 (0.81) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL12394388 0.87 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL6573096 0.87 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL6573091 0.87 CYP3A4 (1.00) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL11660196 0.85 CYP3A4 (0.62) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL11660200 0.85 CYP3A4 (0.62) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL11597866 0.84 CYP3A4 (0.60) CYP3A4TSHRTHPOHIF1ATDP1
SCHEMBL11597873 0.84 CYP3A4 (0.60) CYP3A4TSHRTHPOHIF1ATDP1

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 6 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-4071625-A 19-Oxygenated-5α-androstanes for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-01-31 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