SCHEMBL7436262

SCHEMBL7436262

O=C(Cc1csc(NC(=O)[C@H](Cc2ccccc2)N[C@@H](CCc2ccccc2)C(=O)OCc2ccccc2)n1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7443382 0.85 TACR1 (0.53) MMELMNATP53
SCHEMBL7438793 0.83 MME (0.59) MMEALDH1A1
SCHEMBL7303833 0.81 LMNA (0.58) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7307895 0.77 LMNA (0.55) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7308841 0.74 LMNA (0.56) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7432462 0.74 MME (0.68) MME
SCHEMBL7308749 0.74 LMNA (0.64) LMNATP53HSD17B10ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7304548 0.73 LMNA (0.62) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL27751166 0.73 LMNA (0.69) LMNATP53HSD17B10ALDH1A1NPC1
SCHEMBL7305542 0.72 LMNA (0.53) LMNATP53HSD17B10ALDH1A1NPC1

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-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed