SCHEMBL29630640

SCHEMBL29630640

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.47
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
BMP1 P13497 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
BACE1 P56817 4/20 0.40
NOD1 Q9Y239 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
CTSD P07339 1/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL30011217 1.00 ECE1 (0.47) ECE1KMT2AALOX15BLMPMP22
SCHEMBL30010380 0.95 KMT2A (0.44) ECE1KMT2AALOX15BLMPMP22
SCHEMBL29630680 0.95 KMT2A (0.47) ECE1KMT2AALOX15BLMPMP22
SCHEMBL30011133 0.92 ALOX15 (0.49) ECE1KMT2AALOX15BLMPMP22
SCHEMBL5970326 0.92 KMT2A (0.50) ECE1KMT2AALOX15BLMPMP22
SCHEMBL5970329 0.92 KMT2A (0.50) ECE1KMT2AALOX15BLMPMP22
SCHEMBL29630431 0.91 TGFBR1 (0.41) ECE1KMT2AALOX15BLMPMP22
SCHEMBL29606838 0.91 FOLH1 (0.49) KMT2AALOX15BLMPMP22BMP1
SCHEMBL30390492 0.91 TGFBR1 (0.44) ECE1KMT2AALOX15BLMPMP22
SCHEMBL31410836 0.91 FOLH1 (0.49) KMT2AALOX15BLMPMP22BMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed