SCHEMBL9686499

SCHEMBL9686499

CCOC(=O)Nc1cccc(C)c1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
NLRP3 Q96P20 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44

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
SCHEMBL9694548 0.89 HPGD (0.47) ALDH1A1HPGDNLRP3NPC1RAB9A
SCHEMBL9687443 0.86 ALDH1A1 (0.60) ALDH1A1HPGDNLRP3SMN1; SMN2CYP1A2
SCHEMBL8576011 0.85 NLRP3 (0.46) ALDH1A1HPGDNLRP3SMN1; SMN2CYP1A2
SCHEMBL9686398 0.84 NPC1 (0.74) ALDH1A1HPGDNLRP3SMN1; SMN2NPC1
SCHEMBL1955909 0.82 NLRP3 (0.80) ALDH1A1HPGDNLRP3SMN1; SMN2CYP1A2
SCHEMBL9686228 0.82 KDM4E (0.46) ALDH1A1HPGDNLRP3SMN1; SMN2CYP1A2
SCHEMBL9686985 0.82 LCK (0.43) NLRP3NPC1RAB9ALMNAHSD17B10
SCHEMBL8175962 0.82 RAB9A (0.46) ALDH1A1HPGDCYP1A2CYP2C9NPC1
SCHEMBL69360 0.82 NPC1 (0.71) ALDH1A1HPGDNLRP3SMN1; SMN2CYP1A2
SCHEMBL30593915 0.82 NPC1 (0.71) ALDH1A1HPGDNLRP3SMN1; SMN2CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268989-B1 IMIDAZOPYRIDINE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed
US-4920129-A Anti-ulcerative imidazopyridine compounds FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-24 US disclosed
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0308917-A2 Imidazopyridine compound, a process for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-03-29 EP disclosed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP disclosed