SCHEMBL7280943

SCHEMBL7280943

CCCCOC(=O)NC(C=O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.57
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSH P09668 1/20 0.41
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 4/20 0.40

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
SCHEMBL7040369 1.00 CTSK (0.57) CTSKNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2479459 0.89 CTSK (0.51) CTSKNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5703708 0.87 CTSK (0.57) CTSKHPGDCTSLCTSBEPHX1
SCHEMBL30314267 0.87 CTSK (0.57) CTSKHPGDCTSLCTSBEPHX1
SCHEMBL26036961 0.85 CTSK (0.45) CTSKCTSLCTSB
SCHEMBL15757825 0.84 CTSK (0.61) CTSKCTSLCTSBCTSHEPHX1
SCHEMBL7440472 0.84 CTSK (0.69) CTSKCTSLCTSBCTSH
SCHEMBL7380626 0.82 CTSK (0.59) CTSKCTSLCTSBCTSH
SCHEMBL8491330 0.80 CTSK (0.47) CTSKNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9540332 0.80 CTSK (0.47) CTSKNPC1HPGDRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107761-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (II) VERNALIS RESEARCH LIMITED (GB) 2001-06-20 EP disclosed
WO-2000013682-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS.(II) VERNALIS RESEARCH LIMITED (GB) 2000-03-16 WO disclosed
WO-1993012076-A1 REAGENTS FOR AUTOMATED SYNTHESIS OF PEPTIDE ANALOGS CORVAS INTERNATIONAL INC. (US) 1993-06-24 WO disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed