SCHEMBL7547045

SCHEMBL7547045

Cc1ccc(NC(=NC#N)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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.39
▸ CTSS P25774 6/20 0.39
▸ CTSL P07711 5/20 0.36
▸ CTSB P07858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL7546039 0.94 CTSK (0.43) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7542622 0.93 CTSK (0.39) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7542723 0.93 CTSK (0.38) CTSKCTSSCTSLCTSBMAPT
SCHEMBL7567146 0.91 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7541260 0.91 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7565898 0.91 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7566320 0.91 CTSK (0.36) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7541309 0.91 ANPEP (0.40) CTSKCTSSCTSLCTSBLMNA
SCHEMBL7541120 0.91 CTSK (0.38) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL7568185 0.91 CTSK (0.35) 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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