SCHEMBL27369997

SCHEMBL27369997

CC(=O)CCNC(=O)CC(I)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ ECE1 P42892 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SLC15A2 Q16348 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PAOX Q6QHF9 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
SCHEMBL23805305 0.96 ALDH1A1 (0.35) ALDH1A1ECE1LMNASLC15A2HPGD
SCHEMBL23253739 0.86 PAOX (0.45) ALDH1A1HPGDKMT2ASMN1; SMN2PAOX
SCHEMBL23179898 0.83 ALDH1A1 (0.38) ALDH1A1ECE1LMNASLC15A2HPGD
SCHEMBL23805304 0.82 PAOX (0.38) ALDH1A1HPGDKMT2ATP53SMN1; SMN2
SCHEMBL27370003 0.81 PSMB5 (0.31) ALDH1A1
SCHEMBL23253839 0.79 CHRNB2 (0.34) ECE1
SCHEMBL27266013 0.77 ALDH1A1 (0.34) ALDH1A1ECE1HPGDKMT2ATP53
SCHEMBL15071678 0.76 SMN1; SMN2 (0.50) ALDH1A1ECE1HPGDKMT2ATP53
SCHEMBL26740179 0.75 FOLH1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL27369995 0.74 ECE1 (0.40) ALDH1A1ECE1LMNASLC15A2PAOX

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-2024036329-A2 CYTOTOXIC COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC. (US) 2024-02-15 — — WO disclosed
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