SCHEMBL8823341

SCHEMBL8823341

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)O)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.70
KCNH2 Q12809 6/20 0.62
SRD5A2 P31213 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
SCHEMBL7610596 0.93 AR (0.71) ARKCNH2SRD5A2
SCHEMBL7610600 0.93 AR (0.71) ARKCNH2SRD5A2
SCHEMBL7615525 0.85 AR (0.69) ARKCNH2SRD5A2
SCHEMBL7615518 0.85 AR (0.69) ARKCNH2SRD5A2
SCHEMBL5247649 0.84 AR (0.74) ARKCNH2SRD5A2
SCHEMBL13403347 0.84 AR (0.74) ARKCNH2SRD5A2
SCHEMBL5874196 0.84 AR (0.74) ARKCNH2SRD5A2
SCHEMBL9023095 0.84 AR (0.57) ARKCNH2SRD5A2
SCHEMBL7616774 0.83 AR (0.67) ARKCNH2SRD5A2
SCHEMBL7616766 0.83 AR (0.67) ARKCNH2SRD5A2

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-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 EP disclosed
EP-0538192-A1 New 17-beta-substituted aza-androstanderivatives CIBA-GEIGY AG (CH) 1993-04-21 EP disclosed