SCHEMBL3386596

SCHEMBL3386596

CCC1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 7/20 0.75
LMNA P02545 9/20 0.66
CYP3A4 P08684 8/20 0.66
HSD17B10 Q99714 6/20 0.66
SERPINA6 P08185 6/20 0.66
TSHR P16473 6/20 0.66
MAPK1 P28482 6/20 0.66
MAPT P10636 5/20 0.66
CYP19A1 P11511 4/20 0.66
SNCA P37840 4/20 0.66
NR3C1 P04150 4/20 0.66
PGR P06401 4/20 0.66
AR P10275 4/20 0.66
GPBAR1 Q8TDU6 3/20 0.66
SIGMAR1 Q99720 3/20 0.66
CACNA1C Q13936 2/20 0.66
CYP51A1 Q16850 2/20 0.66
OR51E2 Q9H255 1/20 0.66
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 6/20 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
SCHEMBL15307732 1.00 SHBG (0.75) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL10080165 0.87 CYP3A4 (0.64) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL1899372 0.86 SHBG (1.00) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL4102864 0.86 SHBG (1.00) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL4102861 0.86 SHBG (1.00) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL13752654 0.86 SHBG (1.00) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL1899376 0.86 SHBG (1.00) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL1900826 0.86 SHBG (1.00) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL4895186 0.85 SHBG (0.77) SHBGLMNACYP3A4HSD17B10SERPINA6
SCHEMBL18799945 0.85 SHBG (0.77) SHBGLMNACYP3A4HSD17B10SERPINA6

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-2019114-B1 Process for the preparation of Drospirenone NEWCHEM S P A (IT) 2010-12-15 EP disclosed
EP-2019114-A1 Process for the preparation of Drospirenone Newchem S.p.A. (IT) 2009-01-28 EP disclosed