SCHEMBL11330243

SCHEMBL11330243

COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMBR P28336 4/20 0.70
MAPT P10636 2/20 0.70
LMNA P02545 1/20 0.70
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
REN P00797 1/20 0.60
SIRT5 Q9NXA8 1/20 0.60
IL1RN P18510 1/20 0.60
ERAP2 Q6P179 1/20 0.60
ERAP1 Q9NZ08 1/20 0.60
CA2 P00918 1/20 0.59
BMP1 P13497 1/20 0.59
TACR1 P25103 1/20 0.58
MME P08473 2/20 0.58
ECE1 P42892 2/20 0.58
CASP1 P29466 1/20 0.58
CASP3 P42574 1/20 0.58
CASP7 P55210 1/20 0.58

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
SCHEMBL14595064 0.95 NMBR (0.74) NMBRMAPTLMNAGAAHTT
SCHEMBL5380441 0.95 NMBR (0.74) NMBRMAPTLMNAGAAHTT
SCHEMBL16617130 0.93 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL11765479 0.93 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL5380023 0.93 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL14027229 0.93 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL29828016 0.91 NMBR (0.69) NMBRMAPTLMNAGAAHTT
SCHEMBL1318661 0.91 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL17319524 0.91 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL29401413 0.91 NMBR (0.73) NMBRMAPTLMNAGAAHTT

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-4272432-A Claudogenic-interceptive nonapeptide AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-09 US disclosed