SCHEMBL7515870

SCHEMBL7515870

COCOC1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 3/20 0.40
KCNH2 Q12809 1/20 0.39
SRD5A1 P18405 3/20 0.39
CYP3A4 P08684 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
NR3C1 P04150 1/20 0.38
CYP17A1 P05093 1/20 0.38
PGR P06401 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL7515861 1.00 MEN1 (0.40) MEN1KMT2AARKCNH2SRD5A1
SCHEMBL11329447 0.89 AR (0.42) MEN1KMT2AARSRD5A1CYP3A4
SCHEMBL11329429 0.89 AR (0.42) MEN1KMT2AARSRD5A1CYP3A4
SCHEMBL23378235 0.85 AR (0.44) MEN1KMT2AARSRD5A1CYP3A4
SCHEMBL27369411 0.85 AR (0.42) MEN1KMT2AARSRD5A1CYP3A4
SCHEMBL7196166 0.83 AR (0.44) ARKCNH2SRD5A1CYP3A4NR3C1
SCHEMBL17808699 0.83 CYP3A4 (0.42) MEN1KMT2AARKCNH2SRD5A1
SCHEMBL7196165 0.83 AR (0.44) ARKCNH2SRD5A1CYP3A4NR3C1
SCHEMBL23378067 0.83 SRD5A1 (0.41) MEN1KMT2AARSRD5A1
SCHEMBL6443645 0.83 MEN1 (0.46) MEN1KMT2AARSRD5A1CYP3A4

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-20020183532-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2002-12-05 US claimed