SCHEMBL9570308

SCHEMBL9570308

CCCN(CCC)C(=O)CCC[O]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.50
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 2/20 0.43
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TP53 P04637 1/20 0.36
CA1 P00915 2/20 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
SCHEMBL9570018 0.93 ALDH1A1 (0.55) ALDH1A1HPGDLMNACA12CA9
SCHEMBL3310896 0.88 ALDH1A1 (0.64) ALDH1A1HPGDLMNACA12CA9
SCHEMBL19404635 0.88 ALDH1A1 (0.64) ALDH1A1HPGDLMNACA12CA9
SCHEMBL11770064 0.86 ALDH1A1 (0.61) ALDH1A1HPGDLMNACA12CA9
SCHEMBL8880040 0.86 ALDH1A1 (0.61) ALDH1A1HPGDLMNACA12CA9
SCHEMBL9692960 0.86 ALDH1A1 (0.61) ALDH1A1HPGDLMNACA12CA9
SCHEMBL2477201 0.84 ALDH1A1 (0.59) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL9432738 0.83 MMP1 (0.48) ALDH1A1HPGDLMNACA12CA9
SCHEMBL9631729 0.82 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL782029 0.82 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed