SCHEMBL4369408

SCHEMBL4369408

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 12/20 0.63
SRD5A2 P31213 7/20 0.63
LMNA P02545 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
ABCC4 O15439 1/20 0.63
ABCB11 O95342 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
HSD3B1 P14060 1/20 0.63
NFKB1 P19838 1/20 0.63
MAPK1 P28482 1/20 0.63
THPO P40225 1/20 0.63
BLM P54132 1/20 0.63

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
SCHEMBL7611841 0.89 SRD5A1 (0.63) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8823336 0.89 SRD5A1 (0.63) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7611835 0.89 SRD5A1 (0.63) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8823355 0.88 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14295225 0.84 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13970874 0.84 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13403338 0.84 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790854 0.84 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14355654 0.84 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL797723 0.84 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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-1523490-B1 METHOD FOR INTRODUCING A 1,2 DOUBLE BOND INTO 3-OXO-4-AZASTEROID COMPOUNDS SIEGFRIED GENERICS INT AG (CH) 2009-12-23 EP disclosed