SCHEMBL24668049

SCHEMBL24668049

CC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.53
▸ MMP8 P22894 5/20 0.53
▸ MMP1 P03956 4/20 0.53
▸ MMP9 P14780 4/20 0.53
▸ GHSR Q92847 3/20 0.49
▸ ACE P12821 2/20 0.48
▸ MMP3 P08254 1/20 0.47
▸ CCKBR P32239 2/20 0.47
▸ ECE1 P42892 2/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ ERAP2 Q6P179 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
SCHEMBL30096974 0.88 KDM4E (0.52) MMP2MMP8MMP1MMP9GHSR
SCHEMBL30799784 0.87 GHSR (0.57) GHSRERAP2
SCHEMBL31419492 0.87 ACE (0.55) ACEECE1
SCHEMBL31259938 0.87 ACE (0.57) ACEECE1ALOX15
SCHEMBL31259936 0.87 ACE (0.57) ACEECE1ALOX15
SCHEMBL29973876 0.87 ACE (0.57) ACEECE1ALOX15
SCHEMBL31259937 0.87 ACE (0.57) ACEECE1ALOX15
SCHEMBL31259940 0.87 ACE (0.57) ACEECE1ALOX15
SCHEMBL31259935 0.87 ACE (0.57) ACEECE1ALOX15
SCHEMBL30628999 0.87 ACE (0.57) ACEECE1ALOX15

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-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 — — WO disclosed
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