SCHEMBL8898529

SCHEMBL8898529

CC1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
SHBG P04278 2/20 0.44
GRIN2D O15399 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
SERPINA6 P08185 1/20 0.41
NR3C2 P08235 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.41
KCNH2 Q12809 1/20 0.41
SRD5A2 P31213 1/20 0.40

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
SCHEMBL21807712 1.00 AR (0.45) ARSHBGGRIN2DGRIN1GRIN2A
SCHEMBL2545024 0.86 AR (0.61) ARSHBGNR3C1PGRSERPINA6
SCHEMBL867596 0.86 AR (0.61) ARSHBGNR3C1PGRSERPINA6
SCHEMBL15259496 0.86 AR (0.61) ARSHBGNR3C1PGRSERPINA6
SCHEMBL867595 0.86 AR (0.61) ARSHBGNR3C1PGRSERPINA6
SCHEMBL2281371 0.86 AR (0.61) ARSHBGNR3C1PGRSERPINA6
SCHEMBL7193192 0.86 AR (0.61) ARSHBGNR3C1PGRSERPINA6
SCHEMBL11329429 0.84 AR (0.42) ARSHBGNR3C1PGRSERPINA6
SCHEMBL3486294 0.84 GRIN1 (0.47) ARSHBGGRIN1GRIN2BNR3C1
SCHEMBL11329447 0.84 AR (0.42) ARSHBGNR3C1PGRSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217840-B1 PROCESS FOR THE PRODUCTION OF 1-METHYL-1,4-ANDROSTADIEN-3,17-DION SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-13 EP claimed
EP-0768896-A2 LOW-DOSE STEROID TABLETS CONTAINING GALLIC ACID ESTERS AS ANTIOXIDANT AGENT, PROCESS FOR THE MANUFACTURE OF SAID TABLETS, AND USES OF SAID TABLETS SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 EP disclosed
WO-1996001128-A2 LOW-DOSE STEROID TABLETS CONTAINING GALLIC ACID ESTERS AS ANTIOXIDANT AGENT, PROCESS FOR THE MANUFACTURE OF SAID TABLETS, AND USES OF SAID TABLETS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-18 WO disclosed