SCHEMBL31047745

SCHEMBL31047745

NC(=O)CC[C@H](NC1CCCO1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ CA2 P00918 5/20 0.34
▸ CA1 P00915 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OPRM1 P35372 2/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.31
▸ NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL30058897 0.84 FOLH1 (0.42) FOLH1RIMKLANAALAD2ALDH1A1
SCHEMBL30861186 0.81 CPB2 (0.44) FOLH1
SCHEMBL32665488 0.81 CPB2 (0.35) —
SCHEMBL18396446 0.78 LMNA (0.50) KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL28786664 0.77 CPB2 (0.46) FOLH1
SCHEMBL32665433 0.77 C3AR1 (0.37) KMT2ASMN1; SMN2
SCHEMBL21167241 0.76 KMT2A (0.41) KMT2AALOX15BLMPMP22MMP2
SCHEMBL2247731 0.76 KMT2A (0.41) KMT2AALOX15BLMPMP22MMP2
SCHEMBL5323996 0.76 KMT2A (0.44) KMT2AALOX15BLMPMP22MMP2
SCHEMBL4621861 0.76 KMT2A (0.44) KMT2AALOX15BLMPMP22MMP2

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
CN-118450907-A Antibody drug conjugates 百济神州有限公司 2024-08-06 — — CN disclosed
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