SCHEMBL29694496

SCHEMBL29694496

NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.58
KMT2A Q03164 1/20 0.52
TLR2 O60603 2/20 0.50
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
CASP3 P42574 2/20 0.48
MDM2 Q00987 4/20 0.47

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
SCHEMBL12658035 0.95 PTPN1 (0.58) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL119475 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL29682425 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL29908079 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL5182292 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL29352431 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL800090 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL29401101 0.93 MDM4 (0.56) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL24235547 0.91 PTPN1 (0.57) PTPN1KMT2ATLR2MDM4TP53
SCHEMBL14719947 0.91 KMT2A (0.57) PTPN1KMT2ATLR2MDM4TP53

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-111944025-B HIV (human immunodeficiency Virus) membrane fusion inhibitor lipopeptide and pharmaceutical application thereof 中国医学科学院病原生物学研究所 2022-06-07 CN disclosed