SCHEMBL22457558

SCHEMBL22457558

CNC(Cc1ccccc1)C(=O)N(C)CC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
MME P08473 1/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.46
ECE1 P42892 1/20 0.46
LMNA P02545 1/20 0.46
PTPN1 P18031 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46

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
SCHEMBL24201035 0.86 ACE (0.42) ACEL3MBTL1MMEMMP9MMP8
SCHEMBL29814575 0.85 ACE (0.53) ACEL3MBTL1MMENPSR1ECE1
SCHEMBL7328042 0.83 ACE (0.57) ACEL3MBTL1MMENPSR1ECE1
SCHEMBL29860964 0.83 CTSL (0.61)
SCHEMBL12205303 0.82 ACE (0.50) ACEL3MBTL1MMENPSR1ECE1
SCHEMBL29382409 0.81 MME (0.53) ACEMMEMMP9
SCHEMBL16254314 0.80 HPGD (0.65) MMP9MMP8MMP14RAB9ALMNA
SCHEMBL7369017 0.80 ACE (0.53) ACEL3MBTL1MMENPSR1ECE1
SCHEMBL7289252 0.80 PTPN1 (0.56) ACEL3MBTL1MMELMNAPTPN1
SCHEMBL7064976 0.78 MMP9 (0.66) MMP9MMP8MMP14

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
WO-2020189621-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND 日産化学株式会社 2020-09-24 WO disclosed