SCHEMBL27266013

SCHEMBL27266013

CC(=O)CCNC(=O)CNC(=O)CC(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ ECE1 P42892 3/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FOLH1 Q04609 2/20 0.30
▸ NAALAD2 Q9Y3Q0 2/20 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
SCHEMBL23179898 0.93 ALDH1A1 (0.38) ALDH1A1ECE1CYP1A2HPGDKMT2A
SCHEMBL19302563 0.80 ADRA1A (0.44) ALDH1A1HPGDKMT2ATP53SMN1; SMN2
SCHEMBL27369997 0.77 ALDH1A1 (0.33) ALDH1A1ECE1HPGDKMT2ATP53
SCHEMBL15071678 0.76 SMN1; SMN2 (0.50) ALDH1A1ECE1PSMB5HPGDKMT2A
SCHEMBL27266145 0.75 LMNA (0.48) ALDH1A1ECE1KMT2AFOLH1
SCHEMBL23805304 0.75 PAOX (0.38) ALDH1A1HPGDKMT2ATP53SMN1; SMN2
SCHEMBL23805305 0.75 ALDH1A1 (0.35) ALDH1A1ECE1HPGD
SCHEMBL22987368 0.74 CA1 (0.38) ALDH1A1ECE1KMT2A
SCHEMBL21888407 0.74 GABRR1 (0.50) ALDH1A1CYP1A2HPGDKMT2ATP53
SCHEMBL13071570 0.74 CYP3A4 (0.42) ALDH1A1CYP1A2HPGDKMT2ATP53

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-2024110905-A1 ANTI-CEA ANTIBODY DRUG CONJUGATES AND METHODS OF USE BEIGENE, LTD. (KY) 2024-05-30 — — WO disclosed
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