SCHEMBL7541260

SCHEMBL7541260

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.36
▸ CTSS P25774 5/20 0.36
▸ CTSL P07711 5/20 0.34
▸ CTSB P07858 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ P2RX7 Q99572 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
▸ REN P00797 1/20 0.31
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31
▸ NCSTN Q92542 2/20 0.31
▸ APH1A Q96BI3 2/20 0.31
▸ PSENEN Q9NZ42 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ KEAP1 Q14145 1/20 0.30

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
SCHEMBL7566320 1.00 CTSK (0.36) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7544773 0.95 CTSK (0.40) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7567257 0.95 CTSK (0.40) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7567053 0.94 CTSK (0.36) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7538431 0.94 CTSK (0.36) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7570937 0.93 CTSK (0.35) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7538332 0.93 CTSK (0.35) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7567398 0.93 ANPEP (0.38) CTSKCTSSCTSLCTSBLMNA
SCHEMBL7540764 0.93 ANPEP (0.38) CTSKCTSSCTSLCTSBLMNA
SCHEMBL7547045 0.91 CTSK (0.39) CTSKCTSSCTSLCTSBALDH1A1

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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