SCHEMBL9686398

SCHEMBL9686398

Cc1cccc(NC(=O)OCc2ccccc2)c1CO

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
CASP3 P42574 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MGLL Q99685 1/20 0.49
PLAU P00749 1/20 0.48
PTPN1 P18031 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
NLRP3 Q96P20 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL9687037 0.88 NPC1 (0.72) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL5853278 0.86 NPC1 (1.00) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL9686499 0.84 ALDH1A1 (0.57) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL4650207 0.83 NPC1 (0.58) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL9694548 0.82 HPGD (0.47) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL9687318 0.82 NPC1 (0.76) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL10489837 0.82 NPC1 (0.76) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL29955456 0.80 NPC1 (0.72) NPC1RAB9ACASP3L3MBTL1ALDH1A1
SCHEMBL8576011 0.80 NLRP3 (0.46) NPC1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL8175962 0.79 RAB9A (0.46) NPC1RAB9AALDH1A1POLBTRPV1

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 3 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-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP disclosed