SCHEMBL9251955

SCHEMBL9251955

CCCCCCCCCCCCCCNc1ccc(C(=O)NCCC(=O)OC)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
GAA P10253 2/20 0.66
HSD17B10 Q99714 1/20 0.66
PTGER4 P35408 3/20 0.53
PRSS1 P07477 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.44
SMPD1 P17405 1/20 0.44
NAAA Q02083 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43

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
Hydrochloric Acid SCHEMBL9252446 0.90 MAPT (0.67) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL9246309 0.85 KDM4E (0.58) MAPTALDH1A1KDM4EGAAHSD17B10
Acetic Acid SCHEMBL9251660 0.84 MAPT (0.57) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL9245378 0.83 HCAR3 (0.65) MAPTALDH1A1KDM4EGAAPTGER4
SCHEMBL1468005 0.82 PTGER4 (0.69) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL9251859 0.82 PRKCI (0.54) MAPTALDH1A1KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL9256210 0.79 MAPT (0.51) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL9252717 0.78 GAA (0.67) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL15320652 0.77 PTGER4 (0.76) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL2955366 0.76 L3MBTL1 (0.63) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed