SCHEMBL7539439

SCHEMBL7539439

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.50
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FPR2 P25090 4/20 0.42
▸ MMP1 P03956 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ MMP3 P08254 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL7544683 0.91 MAPT (0.45) RAB9AFPR2MMP1MMP3MMP2
SCHEMBL7539173 0.91 ANPEP (0.46) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7541671 0.91 ANPEP (0.46) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7545670 0.90 ANPEP (0.46) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7540040 0.90 ANPEP (0.46) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7542028 0.90 FOLH1 (0.42) ANPEPRAB9AFPR2SMN1; SMN2
SCHEMBL7542294 0.90 MAPK1 (0.41) ANPEPRAB9AFPR2SMN1; SMN2SLC6A3
SCHEMBL7539530 0.89 FOLH1 (0.45) FPR2SLC6A3
SCHEMBL7544754 0.89 FPR2 (0.49) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7541309 0.89 ANPEP (0.40) ANPEPFPR2MMP1MMP3MMP2

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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