SCHEMBL9647692

SCHEMBL9647692

CC(C)(C)NC(=O)C1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 9/20 0.46
SRD5A1 P18405 4/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
HSD3B1 P14060 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
MBOAT4 Q96T53 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TSHR P16473 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL10485958 0.89 SRD5A2 (0.37) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL10485961 0.89 SRD5A2 (0.37) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL7609106 0.85 MBOAT4 (0.41) SRD5A2SRD5A1MBOAT4GRIN1GRIN2B
SCHEMBL10582748 0.85 MBOAT4 (0.41) SRD5A2SRD5A1MBOAT4GRIN1GRIN2B
SCHEMBL10485581 0.84 MBOAT4 (0.40) SRD5A2MBOAT4GRIN1GRIN2B
SCHEMBL8764680 0.82 MBOAT4 (0.35) SRD5A2SRD5A1MBOAT4GRIN1GRIN2B
SCHEMBL9844548 0.82 SRD5A2 (0.40) SRD5A2MBOAT4GRIN1GRIN2B
SCHEMBL4731753 0.80 SRD5A2 (0.53) SRD5A2MBOAT4GRIN1GRIN2B
SCHEMBL8411683 0.80 SRD5A2 (0.39) SRD5A2SRD5A1
SCHEMBL9647695 0.76 SRD5A2 (0.46) SRD5A2SRD5A1LMNACYP3A4CYP2C9

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
US-5116983-A Azasteroids as intermediates MERCK & CO., INC. (US) 1992-05-26 US disclosed