SCHEMBL9746272

SCHEMBL9746272

[CH2]COCC#CC(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TRPA1 O75762 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
SCHEMBL4706646 0.86 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL9747159 0.80 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL9747450 0.79
SCHEMBL1513386 0.78 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL14413661 0.76 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL15144934 0.75 HMGCR (0.31) ALDH1A1TSHR
SCHEMBL126072 0.74
SCHEMBL10386061 0.74 ALOX15 (0.54) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL10386492 0.74 ALDH1A1 (0.36) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL18446 0.73 ALDH1A1 (0.53) ALDH1A1TSHRLMNAHSD17B10ALOX15

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