SCHEMBL10780415

SCHEMBL10780415

CCCCCCC(Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.62
ACE P12821 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
ECE1 P42892 1/20 0.62
BLM P54132 1/20 0.62
NPEPPS P55786 1/20 0.62
KMT2A Q03164 1/20 0.62
MMP2 P08253 9/20 0.57
MMP1 P03956 4/20 0.57
MMP3 P08254 4/20 0.57

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
SCHEMBL10780422 0.85 MME (0.63) MMEACEALDH1A1HPGDMAPK1
SCHEMBL8466382 0.85 MMP2 (0.67) MMP2MMP1MMP3
SCHEMBL28211408 0.83 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL5017227 0.83 MMP2 (0.57) MMP2MMP1MMP3
SCHEMBL10447979 0.82 MME (0.81) MMEACEALDH1A1HPGDMAPK1
SCHEMBL5258058 0.82 FAAH (0.57) ALDH1A1MAPTMMP2MMP1MMP3
SCHEMBL19437143 0.81 MME (0.70) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10957172 0.81 FOLH1 (0.66) MMP2MMP1MMP3
SCHEMBL3242850 0.81 FOLH1 (0.66) MMP2MMP1MMP3
SCHEMBL9653477 0.81 FOLH1 (0.66) MMP2MMP1MMP3

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
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed