SCHEMBL8898527

SCHEMBL8898527

CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)CC1=O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.76
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
NR1I3 Q14994 1/20 0.43
GRIN1 Q05586 7/20 0.43
GRIN2B Q13224 7/20 0.43
CYP19A1 P11511 3/20 0.43

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
SCHEMBL21176009 0.86 MBOAT4 (1.00) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL28689586 0.86 MBOAT4 (0.74) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL6477188 0.86 MBOAT4 (0.74) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL28680586 0.86 MBOAT4 (0.74) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL21176043 0.83 MBOAT4 (1.00) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL11362671 0.80 MBOAT4 (0.65) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL11362674 0.80 MBOAT4 (0.65) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL29846139 0.79 ALDH1A1 (0.55) MBOAT4
SCHEMBL1781352 0.78 MBOAT4 (0.62) MBOAT4CDK5CDK5R1NR1I3GRIN1
SCHEMBL21176005 0.78 MBOAT4 (0.62) MBOAT4CDK5CDK5R1NR1I3GRIN1

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