SCHEMBL11229308

SCHEMBL11229308

CCC(=O)OC1(C(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.89
PGR P06401 6/20 0.69
NR3C1 P04150 6/20 0.69
LMNA P02545 5/20 0.69
CYP3A4 P08684 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HIF1A Q16665 4/20 0.69
KMT2A Q03164 4/20 0.69
MAPT P10636 3/20 0.69
MEN1 O00255 3/20 0.69
NR1I2 O75469 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
SLC6A3 Q01959 2/20 0.69
HPGD P15428 1/20 0.69
MLNR O43193 1/20 0.69
HTT P42858 1/20 0.69
PDE4D Q08499 1/20 0.69
PDE3A Q14432 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
NR3C2 P08235 3/20 0.67

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
SCHEMBL11020429 1.00 AR (0.89) ARPGRNR3C1LMNACYP3A4
Clascoterone SCHEMBL24687898 0.94 AR (1.00) ARPGRNR3C1LMNACYP3A4
SCHEMBL10937146 0.94 AR (0.86) ARPGRNR3C1LMNACYP3A4
Clascoterone SCHEMBL1231152 0.94 AR (1.00) ARPGRNR3C1LMNACYP3A4
Clascoterone SCHEMBL24688449 0.94 AR (1.00) ARPGRNR3C1LMNACYP3A4
Clascoterone SCHEMBL24358737 0.94 AR (1.00) ARPGRNR3C1LMNACYP3A4
Clascoterone SCHEMBL24688164 0.94 AR (1.00) ARPGRNR3C1LMNACYP3A4
Clascoterone SCHEMBL25297448 0.94 AR (1.00) ARPGRNR3C1LMNACYP3A4
SCHEMBL11118070 0.94 AR (0.86) ARPGRNR3C1LMNACYP3A4
SCHEMBL11118072 0.94 AR (0.86) ARPGRNR3C1LMNACYP3A4

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-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed