SCHEMBL7567146

SCHEMBL7567146

Cc1ccc(NC(=NC#N)Nc2ccc(C(CC(C)C)C(=O)NC(CCNCC(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 9/20 0.36
▸ CTSS P25774 7/20 0.36
▸ CTSL P07711 6/20 0.34
▸ CTSB P07858 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ P2RX7 Q99572 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
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 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
SCHEMBL7565898 1.00 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7565424 0.95 CTSK (0.40) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7564315 0.95 CTSK (0.40) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7565029 0.94 CTSK (0.36) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7565354 0.94 CTSK (0.36) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7566389 0.93 CTSK (0.35) CTSKCTSSCTSLCTSBLMNA
SCHEMBL7568018 0.93 CTSK (0.35) CTSKCTSSCTSLCTSBLMNA
SCHEMBL7573608 0.92 ANPEP (0.38) CTSKCTSSCTSLCTSBMMP2
SCHEMBL7567905 0.92 ANPEP (0.38) CTSKCTSSCTSLCTSBMMP2
SCHEMBL7547045 0.91 CTSK (0.39) 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
Send feedback