SCHEMBL10753221

SCHEMBL10753221

CCC(C(=O)O)C(=O)N(CCC(=O)OC)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ LTA4H P09960 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40

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
SCHEMBL10752184 0.81 PKM (0.52) ALDH1A1LTA4HPKMKMT2ATRPM8
SCHEMBL14973957 0.80 ALDH1A1 (0.52) ALDH1A1LTA4HPKMKMT2AMAPT
SCHEMBL14973956 0.79 ALDH1A1 (0.51) ALDH1A1LTA4HPKMKMT2ATRPM8
SCHEMBL10757422 0.79 ITGB3 (0.37) ALDH1A1LTA4HLMNAKMT2AMAPT
SCHEMBL10753215 0.76 ALDH1A1 (0.47) ALDH1A1LMNAPKMKMT2ARIPK1
SCHEMBL10749977 0.76 MC4R (0.44) ALDH1A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL10752287 0.75 MEN1 (0.44) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL10752292 0.74 HDAC6 (0.37) ALDH1A1LMNA
SCHEMBL10756619 0.72 ALDH1A1 (0.47) ALDH1A1LTA4HLMNAPKMKMT2A
SCHEMBL2186007 0.72 CHRNB2 (0.54) ALDH1A1RECQLLMNAKMT2ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 — — US disclosed
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