SCHEMBL21238486

SCHEMBL21238486

CC1CCC/C(=C\NC23CC(c4ccccc4)(C2)C3)C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 3/20 0.51
HTT P42858 1/20 0.51
RCE1 Q9Y256 1/20 0.51
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.47
ALOX12 P18054 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
CASP1 P29466 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL21238503 0.76 RAB9A (0.49) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL21238089 0.71 KMT2A (0.61) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3437935 0.69 HPGD (0.61) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3437937 0.69 HPGD (0.61) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8675213 0.69 HPGD (0.61) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL9682645 0.63 RAB9A (0.49) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL9682651 0.63 RAB9A (0.49) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL20601970 0.61 RAB9A (0.51) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8154780 0.61 RAB9A (0.51) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL11258728 0.61 RAB9A (0.51) ALDH1A1MAPTKDM4EHPGDHSD17B10

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-2019152946-A1 COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2019-08-08 WO disclosed