SCHEMBL9005205

SCHEMBL9005205

CCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)C3=CC[C@]12C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.34
SRD5A1 P18405 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
RGS12 O14924 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
GNAI1 P63096 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL3198102 0.88 NR3C1 (0.33) SRD5A2SRD5A1NR3C1ARPGR
SCHEMBL22917993 0.82 NR3C1 (0.42) ALDH1A1CYP3A4NR3C1ARPGR
SCHEMBL24444457 0.82 NR3C1 (0.42) ALDH1A1CYP3A4NR3C1ARPGR
SCHEMBL22918272 0.79 CYP3A4 (0.37) MEN1MAPTKMT2ACYP3A4ALOX15
SCHEMBL24444511 0.79 CYP3A4 (0.37) MEN1MAPTKMT2ACYP3A4ALOX15
SCHEMBL24444338 0.79 CYP3A4 (0.37) MEN1MAPTKMT2ACYP3A4ALOX15
SCHEMBL11223418 0.74 PGR (0.30) PGR
SCHEMBL5925783 0.73 CYP19A1 (0.43)
SCHEMBL11231341 0.73
SCHEMBL6013521 0.72 ALOX15 (0.30) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574317-B1 A new process for the preparation of 20-keto, 21-alpha-hydroxy steroids and intermediates therefor ROUSSEL UCLAF (FR) 1996-10-09 EP disclosed
EP-0574317-A1 A new process for the preparation of 20-keto, 21-alpha-hydroxy steroids and intermediates therefor ROUSSEL UCLAF (FR) 1993-12-15 EP disclosed