SCHEMBL11020428

SCHEMBL11020428

CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(C)C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.61
LMNA P02545 4/20 0.61
CYP3A4 P08684 3/20 0.61
PGR P06401 3/20 0.61
NR3C1 P04150 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
MAPT P10636 2/20 0.61
SLC6A3 Q01959 2/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 1/20 0.61
MLNR O43193 1/20 0.61
NR1I2 O75469 1/20 0.61
HTT P42858 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE3A Q14432 1/20 0.61
HIF1A Q16665 1/20 0.61
CYP19A1 P11511 9/20 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
SCHEMBL11021243 0.92 CYP3A4 (0.73) ARLMNACYP3A4PGRNR3C1
SCHEMBL11020551 0.89 AR (0.63) ARLMNACYP3A4PGRNR3C1
SCHEMBL11022317 0.87 CYP19A1 (0.56) ARLMNACYP3A4PGRNR3C1
SCHEMBL6801424 0.85 AR (0.82) ARLMNACYP3A4PGRNR3C1
SCHEMBL11020597 0.82 AR (0.54) ARLMNACYP3A4PGRNR3C1
SCHEMBL11023303 0.82 NR3C2 (0.49) ARLMNACYP3A4PGRNR3C1
SCHEMBL10703308 0.81 AR (0.54) ARLMNACYP3A4PGRNR3C1
SCHEMBL2823016 0.81 LMNA (0.56) ARLMNACYP3A4PGRNR3C1
SCHEMBL6447130 0.81 CYP19A1 (0.61) ARLMNACYP3A4PGRNR3C1
SCHEMBL11020426 0.79 AR (0.59) ARLMNACYP3A4PGRNR3C1

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-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 EP disclosed