SCHEMBL20230298

SCHEMBL20230298

C=NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 1/20 0.35
▸ CPA2 P48052 1/20 0.35
▸ CPA4 Q9UI42 1/20 0.35
▸ PTPN1 P18031 1/20 0.33
▸ BMP1 P13497 2/20 0.33
▸ GNPAT O15228 2/20 0.32
▸ SIRT5 Q9NXA8 2/20 0.32
▸ F2 P00734 4/20 0.31
▸ SRC P12931 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSH P09668 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ PAM P19021 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
SCHEMBL19051569 0.88 GNPAT (0.40) CPA1CPA2CPA4PTPN1BMP1
SCHEMBL19051620 0.82 GNPAT (0.44) CPA1CPA2CPA4GNPATSIRT5
SCHEMBL30632045 0.82 MAGI3 (0.39) CPA1CPA2CPA4PTPN1GNPAT
SCHEMBL31746072 0.81 PTPN1 (0.49) PTPN1SIRT5CTSLCTSHCTSS
SCHEMBL31094977 0.79 PTPN1 (0.46) PTPN1GNPATF2
SCHEMBL11134385 0.79 GNPAT (0.47) PTPN1GNPAT
SCHEMBL19051600 0.79 NAALAD2 (0.37) BMP1F2MMP1MMP8
SCHEMBL30561495 0.78 ERAP2 (0.40) —
SCHEMBL30632039 0.77 IL23R (0.40) CPA1CPA2CPA4BMP1
SCHEMBL29310045 0.77 PTPN1 (0.42) PTPN1F2

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-2018102762-A1 NERVE LABELING COMPOSITIONS AND USES THEREOF AVELAS BIOSCIENCES, INC. (US) 2018-06-07 — — WO disclosed
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