SCHEMBL9306491

SCHEMBL9306491

C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)CC=CC[C@H]34)[C@@H]1CCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.54
LMNA P02545 3/20 0.50
SHBG P04278 3/20 0.50
SERPINA6 P08185 3/20 0.50
PMP22 Q01453 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
GUSB P08236 1/20 0.50
CYP3A4 P08684 1/20 0.50
G6PD P11413 1/20 0.50
KMT2A Q03164 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B3 P37058 2/20 0.47
SNCA P37840 2/20 0.47
BLM P54132 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 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
SCHEMBL9172988 0.77 CYP19A1 (0.57) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL22727179 0.77 CYP19A1 (0.57) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL9678391 0.77 CYP19A1 (0.57) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL11507147 0.72 CYP19A1 (0.62) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL334388 0.70 CYP19A1 (1.00) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL9965232 0.70 CYP19A1 (1.00) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL13301261 0.70 CYP19A1 (1.00) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL334387 0.70 CYP19A1 (1.00) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL4584277 0.70 CYP19A1 (1.00) CYP19A1LMNASHBGSERPINA6PMP22
SCHEMBL11506479 0.69 CYP19A1 (0.50) CYP19A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5336686-A Glucocorticoid, progesterone and androgen antagonists; hormone inhibitors; antiproliferative activity; antitumor and carcinogenic agents ROUSSEL-UCLAF (FR) 1994-08-09 US disclosed