SCHEMBL7568185

SCHEMBL7568185

Cc1ccc(NC(=NC#N)Nc2ccc(C(CC(C)C)C(=O)NC(CCSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.35
▸ CTSS P25774 3/20 0.35
▸ ACE P12821 4/20 0.35
▸ CTSL P07711 3/20 0.33
▸ CTSB P07858 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL7564982 0.95 CTSK (0.40) CTSKCTSSACECTSLCTSB
SCHEMBL7571448 0.94 CTSK (0.35) CTSKCTSSACECTSLCTSB
SCHEMBL7566382 0.93 ACE (0.36) CTSKCTSSACECTSLMAPK1
SCHEMBL7563255 0.92 ACE (0.38) CTSKCTSSACECTSLCTSB
SCHEMBL7547045 0.91 CTSK (0.39) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7565475 0.91 ACE (0.39) CTSKCTSSACECTSLSMN1; SMN2
SCHEMBL7539858 0.89 ACE (0.39) ACESMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7545839 0.89 ACE (0.39) ACESMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7541260 0.87 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7565898 0.87 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2

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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