SCHEMBL9747204

SCHEMBL9747204

CC[CH]OCCC#CC(=O)OCC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9746782 0.88 HCAR2 (0.33)
SCHEMBL9747650 0.80
SCHEMBL824893 0.75 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10
SCHEMBL187851 0.74 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10
SCHEMBL10388018 0.72 EPHX1 (0.44) ALDH1A1LMNAHSD17B10
SCHEMBL10863228 0.72 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10
SCHEMBL6493221 0.72 CYP1A2 (0.41) ALDH1A1LMNAHSD17B10
SCHEMBL1088906 0.72 HMGCR (0.40) ALDH1A1LMNAHSD17B10
SCHEMBL126072 0.71
SCHEMBL10163042 0.71 EPHX2 (0.38) ALDH1A1LMNAHSD17B10

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-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed