SCHEMBL11204249

SCHEMBL11204249

CC(=O)OCC(=O)[C@@]1(O[N+](=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.59
PGR P06401 4/20 0.59
CHRM1 P11229 2/20 0.59
LMNA P02545 5/20 0.58
HIF1A Q16665 4/20 0.58
SERPINA6 P08185 4/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
CYP3A4 P08684 3/20 0.57
NR3C1 P04150 4/20 0.56
BLM P54132 3/20 0.56
TSHR P16473 3/20 0.56
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
ADORA3 P0DMS8 2/20 0.56
SLC6A3 Q01959 2/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL11206837 0.89 AR (0.64) ARPGRCHRM1LMNAHIF1A
SCHEMBL9622215 0.88 AR (0.68) ARPGRCHRM1LMNAHIF1A
SCHEMBL835740 0.88 AR (0.68) ARPGRCHRM1LMNAHIF1A
SCHEMBL11142368 0.88 AR (0.56) ARPGRCHRM1LMNAHIF1A
SCHEMBL6944506 0.87 AR (0.63) ARPGRCHRM1LMNAHIF1A
SCHEMBL11244221 0.87 AR (0.63) ARPGRCHRM1LMNAHIF1A
SCHEMBL11239936 0.86 AR (0.48) ARPGRCHRM1LMNAHIF1A
SCHEMBL24358686 0.85 AR (0.80) ARPGRCHRM1LMNAHIF1A
SCHEMBL24358738 0.85 AR (0.80) ARPGRCHRM1LMNAHIF1A
SCHEMBL24358698 0.85 AR (0.80) ARPGRCHRM1LMNAHIF1A

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-0034115-B1 PROCESS FOR THE PREPARATION OF 6-METHYLENE STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-08 EP disclosed
US-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed
EP-0034115-A2 Process for the preparation of 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-19 EP disclosed