SCHEMBL7541671

SCHEMBL7541671

COc1ccc(NC(=O)Nc2ccc(C(CC(C)C)C(=O)NC(CNCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.46
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FPR2 P25090 3/20 0.39
▸ CASR P41180 1/20 0.38
▸ MMP1 P03956 4/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ CSGALNACT1 Q8TDX6 1/20 0.37
▸ CTSL P07711 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL7541941 0.92 GAA (0.41) RAB9AFPR2MMP1MMP3CTSS
SCHEMBL7541062 0.91 FOLH1 (0.39) ANPEPRAB9AFPR2SMN1; SMN2
SCHEMBL7541814 0.91 MAPK1 (0.38) ANPEPRAB9AFPR2CASRCSGALNACT1
SCHEMBL7541860 0.91 FOLH1 (0.39) ANPEPRAB9AFPR2SMN1; SMN2
SCHEMBL7539439 0.91 ANPEP (0.50) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7545836 0.90 MAPK1 (0.39) FPR2CASR
SCHEMBL7542492 0.90 MAPK1 (0.39) FPR2CASR
SCHEMBL7567905 0.89 ANPEP (0.38) ANPEPFPR2MMP1MMP3CTSL
SCHEMBL7573608 0.89 ANPEP (0.38) ANPEPFPR2MMP1MMP3CTSL
SCHEMBL7539262 0.88 ANPEP (0.50) ANPEPRAB9AFPR2MMP1MMP3

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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