SCHEMBL9226232

SCHEMBL9226232

COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@H]2CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.68
CYP19A1 P11511 16/20 0.54
LMNA P02545 2/20 0.44
SHBG P04278 2/20 0.44
SERPINA6 P08185 2/20 0.44
PMP22 Q01453 2/20 0.44
MEN1 O00255 1/20 0.44
GUSB P08236 1/20 0.44
CYP3A4 P08684 1/20 0.44
G6PD P11413 1/20 0.44
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B3 P37058 1/20 0.44
SNCA P37840 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9226234 1.00 SRD5A2 (0.68) SRD5A2CYP19A1LMNASHBGSERPINA6
SCHEMBL21140787 0.89 SRD5A2 (0.69) SRD5A2CYP19A1LMNASHBGSERPINA6
SCHEMBL17831186 0.89 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL15079264 0.89 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL2909333 0.89 SRD5A2 (0.69) SRD5A2CYP19A1LMNASHBGSERPINA6
SCHEMBL6379452 0.89 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17591557 0.89 SRD5A2 (0.63) SRD5A2CYP19A1
SCHEMBL17562405 0.85 SRD5A2 (0.71) SRD5A2CYP19A1LMNASHBGSERPINA6
SCHEMBL16387357 0.85 SRD5A2 (0.71) SRD5A2CYP19A1LMNASHBGSERPINA6
SCHEMBL11517545 0.84 SRD5A2 (0.73) SRD5A2CYP19A1LMNASHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438134-A Endocrine disorders, reproductive control JENAPHARM GMBH (DE) 1995-08-01 US disclosed
EP-0538348-A1 PROCESS FOR PRODUCING UNSATURATED 17-ALPHA-CYANOMETHYL-17-BETA-HYDROXYSTEROIDS. JENAPHARM GMBH (DE) 1993-04-28 EP disclosed
US-4720357-A New process for manufacturing derivatives of 17 alpha-hydroxy 19-nor progesterone and novel intermediates for use therein LABORATOIRE THERAMEX (MC) 1988-01-19 US disclosed
EP-0124934-B1 17-(ISOCYANO-SULFONYLMETHYLENE)-STEROIDS, 17-(FORMAMIDO-SULFONYLMETHYLENE)-STEROIDS AND THEIR PREPARATION GIST-BROCADES N.V. (NL) 1986-11-20 EP disclosed
EP-0124934-A1 17-(Isocyano-sulfonylmethylene)-steroids, 17-(formamido-sulfonylmethylene)-steroids and their preparation GIST-BROCADES N.V. (NL) 1984-11-14 EP disclosed
EP-0123734-A1 17-(Isocyano-sulfonylmethylene)-steroids, 17-(formamido-sulfonylmethylene)-steroids and their preparation GIST-BROCADES N.V. (NL) 1984-11-07 EP disclosed