SCHEMBL22841014

SCHEMBL22841014

CC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.36
▸ BACE1 P56817 2/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ PTGS1 P23219 4/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ PLA2G2C Q5R387 1/20 0.31
▸ FOLH1 Q04609 2/20 0.31
▸ HRH1 P35367 5/20 0.31
▸ CASP3 P42574 1/20 0.30

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
SCHEMBL19257728 0.90 NMT1 (0.39) HRH1
SCHEMBL22238251 0.85 EPHX2 (0.35) PTGS1PTGS2
SCHEMBL17722905 0.84 PTGS1 (0.49) CASP1BACE1PLA2G10PTGS1PTGS2
SCHEMBL21153657 0.83 EPHX2 (0.42) PTGS1PTGS2
SCHEMBL26083211 0.82 CASP1 (0.35) CASP1HRH1
SCHEMBL24860469 0.81 C3AR1 (0.36) —
SCHEMBL21013511 0.80 CASP1 (0.35) CASP1CASP3
SCHEMBL22267887 0.78 CASP1 (0.33) CASP1
SCHEMBL23583708 0.77 MEN1 (0.45) BACE1PTGS1PTGS2
SCHEMBL18909078 0.77 PTGS1 (0.49) CASP1PLA2G10PTGS1PTGS2PLA2G2C

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-3626273-B1 ANTI-CMET ANTIBODY DRUG CONJUGATES AND METHODS FOR THEIR USE ABBVIE BIOTHERAPEUTICS INC (US) 2020-12-30 — — EP disclosed
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