SCHEMBL20663286

SCHEMBL20663286

CC1C=C(C(=O)N2CCCCC2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL3 Q96JM7 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
MBTD1 Q05BQ5 3/20 0.38
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL6372307 0.74 OAT (0.60) ALDH1A1MAPK1NPC1KMT2AGAA
SCHEMBL1783260 0.74 OAT (0.41)
SCHEMBL11883411 0.72 OAT (0.52) L3MBTL1MAPK1KMT2A
SCHEMBL21650204 0.68 HPGD (0.58) HPGDALDH1A1MAPK1NPC1GLA
SCHEMBL11121857 0.66 CHRM3 (0.33) HPGDALDH1A1MAPK1HTTMEN1
SCHEMBL16566608 0.63 MAPT (0.32) HPGDALDH1A1MAPK1NPC1HTT
SCHEMBL13149373 0.63 ALDH1A1 (0.41) HPGDALDH1A1L3MBTL1MAPK1HTT
SCHEMBL13149257 0.63 ALDH1A1 (0.41) HPGDALDH1A1L3MBTL1MAPK1HTT
SCHEMBL7549050 0.63 HPGD (0.47) HPGDALDH1A1NPC1GLAMEN1
SCHEMBL1783216 0.62

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
EP-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 EP disclosed