SCHEMBL9822501

SCHEMBL9822501

CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(OC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.53
GRIN2B Q13224 3/20 0.53
GRIN2D O15399 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2C Q14957 1/20 0.53
SRD5A2 P31213 3/20 0.50
LMNA P02545 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 2/20 0.49
BLM P54132 2/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
HSD3B1 P14060 1/20 0.49
SRD5A1 P18405 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL8164233 0.84 SRD5A2 (0.65) SRD5A2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL8164230 0.84 SRD5A2 (0.65) SRD5A2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL9822820 0.81 SRD5A2 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL8255886 0.78 MAPK1 (0.65) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2981380 0.76 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2980777 0.76 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2981376 0.76 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22449551 0.76 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19733059 0.76 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL643029 0.76 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 EP claimed