SCHEMBL6682878

SCHEMBL6682878

C[C@@]12CCC[C@H]1[C@@H]1CCC3CCC(C(=O)O)C[C@]3(C)[C@H]1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.56
GRIN2B Q13224 7/20 0.56
NR1I3 Q14994 1/20 0.54
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
MBOAT4 Q96T53 2/20 0.43
SRD5A2 P31213 1/20 0.41
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
EFNA1 P20827 1/20 0.37
EPHA2 P29317 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6682882 1.00 GRIN1 (0.56) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL10698961 0.83 GRIN1 (0.68) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL11667307 0.83 GRIN1 (0.68) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL28226182 0.82 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL28086697 0.80 NR1I3 (0.68) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL7352295 0.80 SRD5A2 (0.56) SRD5A2AKR1B10AKR1B1MEN1LMNA
SCHEMBL9181262 0.79 GRIN1 (0.51) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL5842843 0.79 CDK5 (0.57) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL28142697 0.79 CDK5 (0.57) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL5842846 0.79 CDK5 (0.57) GRIN1GRIN2BNR1I3CDK5CDK5R1

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
WO-2004064722-A2 PROCESS FOR THE PRODUCTION OF OXANDROLONE ENDEAVOR PHARMACEUTICALS, INCORPORATED (US) 2004-08-05 WO disclosed