SCHEMBL9352124

SCHEMBL9352124

C[C@@]12CCC[C@H]1[C@H]1CCC3NC(=O)CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.57
SRD5A2 P31213 4/20 0.55
AR P10275 1/20 0.50

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
SCHEMBL8721495 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL7596381 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL5007912 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL5007914 1.00 SRD5A1 (0.57) SRD5A1SRD5A2AR
SCHEMBL7788657 0.84 CDK5 (0.45) SRD5A1SRD5A2
SCHEMBL7788660 0.84 CDK5 (0.45) SRD5A1SRD5A2
SCHEMBL15549711 0.81 SRD5A2 (0.53) SRD5A1SRD5A2AR
SCHEMBL9393886 0.80 CDK5 (0.44) SRD5A1
SCHEMBL1948752 0.80 SRD5A2 (0.54) SRD5A1SRD5A2AR
SCHEMBL8134829 0.80 SRD5A2 (0.54) SRD5A1SRD5A2AR

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-0610472-A1 STEROIDS WITH A FLUORINATED ACYLUREIDIC TYPE SIDE CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1994-08-17 EP disclosed
WO-1994003474-A1 STEROIDS WITH A FLUORINATED ACYLUREIDIC TYPE SIDE CHAIN PHARMACIA/FARMITALIA CARLO ERBA SRL (IT) 1994-02-17 WO disclosed