SCHEMBL14048673

SCHEMBL14048673

Cc1c(C#N)ccc2c1CCC1C2CC[C@]2(C)CCCCC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
STS P08842 8/20 0.44
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B1 P14061 2/20 0.38
CYP19A1 P11511 3/20 0.37
ABCB11 O95342 1/20 0.36
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL14048707 0.87 SHBG (0.49) SHBGSTSESR1ESR2KDM4E
SCHEMBL14048674 0.87 SHBG (0.52) SHBGSTSESR1ESR2KDM4E
SCHEMBL17525967 0.84 SHBG (0.53) SHBGSTSESR1ESR2KDM4E
SCHEMBL13952055 0.82 STS (0.61) SHBGSTSESR1ESR2LMNA
SCHEMBL13951889 0.79 STS (0.69) SHBGSTSESR1ESR2LMNA
SCHEMBL7596151 0.77 SHBG (0.58) SHBGSTSESR1ESR2KDM4E
SCHEMBL17525955 0.76 ESR1 (0.47) STSESR1ESR2KDM4EMEN1
SCHEMBL13952052 0.75 STS (0.50) SHBGSTSESR1ESR2KDM4E
SCHEMBL14048668 0.73 STS (0.51) SHBGSTSESR1ESR2KDM4E
SCHEMBL17525944 0.73 SHBG (0.70) SHBGSTSESR1ESR2MEN1

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
WO-2008124922-A1 17ALPHA-SUBSTITUTED STEROIDS AS SYSTEMIC ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. (CA) 2008-10-23 WO disclosed