SCHEMBL3633398

SCHEMBL3633398

C#C[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.52
LMNA P02545 5/20 0.52
AR P10275 5/20 0.52
CYP3A4 P08684 5/20 0.52
TSHR P16473 4/20 0.52
MAPT P10636 4/20 0.52
HSD17B10 Q99714 3/20 0.52
NR3C1 P04150 3/20 0.52
SHBG P04278 3/20 0.52
PGR P06401 3/20 0.52
SERPINA6 P08185 3/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
MAPK1 P28482 3/20 0.52
SNCA P37840 2/20 0.52
CACNA1C Q13936 2/20 0.52
CYP51A1 Q16850 2/20 0.52
OR51E2 Q9H255 1/20 0.52
CYP17A1 P05093 2/20 0.49
ESR2 Q92731 2/20 0.47

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 0.87 CYP19A1 (0.60) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL527919 0.86 CYP19A1 (0.68) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL4111278 0.86 CYP19A1 (0.68) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL4111276 0.86 CYP19A1 (0.68) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL9420189 0.86 CYP19A1 (0.68) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL13752956 0.86 CYP19A1 (0.68) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL4419947 0.86 CYP19A1 (0.68) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL28290476 0.85 CYP19A1 (0.67) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL6843222 0.84 CYP19A1 (0.56) CYP19A1LMNAARCYP3A4TSHR
SCHEMBL25333984 0.83 CYP3A4 (0.67) CYP19A1LMNAARCYP3A4TSHR

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-2142194-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS N.V. Organon (NL) 2010-01-13 EP disclosed
WO-2008119918-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS N.V. ORGANON (NL) 2008-10-09 WO disclosed