SCHEMBL7278548

SCHEMBL7278548

C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C=N)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
GPBAR1 Q8TDU6 3/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.47
EPHA2 P29317 2/20 0.47
KMT2A Q03164 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
EFNA1 P20827 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SHBG P04278 1/20 0.41
SERPINA6 P08185 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL27803736 0.85 CYP19A1 (0.55) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL3651590 0.85 CYP19A1 (0.51) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL27766908 0.85 CYP19A1 (0.55) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL9938333 0.85 CYP19A1 (0.51) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL13988200 0.85 CYP19A1 (0.55) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL29434780 0.84 CYP19A1 (0.50) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL6271938 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL28576202 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL7287422 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAHSD17B10EPHA2
SCHEMBL29426371 0.83 GPBAR1 (0.51) CYP19A1GPBAR1LMNAHSD17B10EPHA2

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
EP-0583579-B1 New 17-hydroxyiminomethyl-5beta, 14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-12-03 EP disclosed
EP-0583579-A2 New 17-hydroxyiminomethyl-5beta, 14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-02-23 EP disclosed