SCHEMBL3275185

SCHEMBL3275185

C[C@]12CCC(=O)C=C1C(=N)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 18/20 0.78
▸ ALDH1A1 P00352 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ SHBG P04278 2/20 0.63
▸ SERPINA6 P08185 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ HSD17B3 P37058 2/20 0.63
▸ SNCA P37840 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ PMP22 Q01453 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ SRD5A1 P18405 1/20 0.59
▸ SRD5A2 P31213 1/20 0.59

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
SCHEMBL2600419 0.87 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42713 0.87 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42712 0.87 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL349056 0.85 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL349057 0.85 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL10187417 0.85 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL12374436 0.83 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL10528769 0.83 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9184884 0.82 CYP19A1 (0.80) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9184878 0.82 CYP19A1 (0.80) CYP19A1ALDH1A1LMNASHBGSERPINA6

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
US-20140080794-A1 Methods and Compositions for the Treatment of Estrogen-Dependent Hyperproliferative Uterine Disorders VIVUS INC (US) 2014-03-20 — — US disclosed
US-20100087402-A1 Methods and compositions for the treatment of estrogen-dependent hyperproliferative uterine disorders VIVUS, INC. (US) 2010-04-08 — — US disclosed
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