SCHEMBL7769029

SCHEMBL7769029

NC(Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.67
ITGAV P06756 1/20 0.67
ITGA2B P08514 1/20 0.67
SLC7A5 Q01650 3/20 0.62
ALPI P09923 1/20 0.62
PKM P14618 1/20 0.62
PTGS1 P23219 1/20 0.62
XIAP P98170 1/20 0.62
PTPN1 P18031 3/20 0.56
MMP9 P14780 1/20 0.55
TPH1 P17752 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SIRT1 Q96EB6 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL757263 1.00 ITGB3 (0.67) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL19234470 1.00 ITGB3 (0.67) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL21690098 0.94 SLC7A5 (0.62) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL14381168 0.92 NR1H4 (0.64) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL5608045 0.88 ITGB3 (0.68) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL5608052 0.88 ITGB3 (0.68) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL6251223 0.87 KMT2A (0.58) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL19234474 0.87 MITF (0.59) ITGB3ITGAVITGA2BPTPN1TPH1
SCHEMBL19234475 0.87 ITGB3 (0.57) ITGB3ITGAVITGA2BSLC7A5ALPI
SCHEMBL19234472 0.87 ITGB3 (0.57) ITGB3ITGAVITGA2BSLC7A5ALPI

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
JP-2001163802-A 4-BENZOYLAMINOPHENYLALANINE DERIVATIVE SANKYO CO LTD 2001-06-19 JP disclosed