SCHEMBL30969014

SCHEMBL30969014

COC(=O)[C@H]1CCCN1CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
LTA4H P09960 2/20 0.41
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
PEPD P12955 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 4/20 0.38
FKBP1A P62942 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 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
SCHEMBL7587067 1.00 GBA1 (0.42) GBA1LTA4HCNR1CNR2HSD11B1
SCHEMBL29264319 0.96 FKBP1A (0.42) GBA1LTA4HCNR1CNR2HSD11B1
SCHEMBL7585001 0.96 FKBP1A (0.42) GBA1LTA4HCNR1CNR2HSD11B1
SCHEMBL15211792 0.82 LTA4H (0.44) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL29264338 0.81 LTA4H (0.43) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL29264336 0.81 LTA4H (0.43) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL22878526 0.79 GBA1 (0.39) GBA1CNR1CNR2HSD11B1KDM4E
SCHEMBL15212209 0.78 CNR1 (0.43) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL15211535 0.77 LTA4H (0.42) LTA4HCNR1CNR2HSD11B1POLB
SCHEMBL7581179 0.76 EPHX1 (0.46) CNR1CNR2ALDH1A1KDM4E

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
CN-118271284-A Estrogen receptor modulators and uses thereof 江苏威凯尔医药科技有限公司 2024-07-02 CN disclosed