SCHEMBL7792802

SCHEMBL7792802

NCCCC(NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.66
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
TPSAB1 Q15661 1/20 0.60
SIRT2 Q8IXJ6 3/20 0.59
ITGB3 P05106 4/20 0.57
ITGA2B P08514 4/20 0.57
CTSS P25774 1/20 0.54
SIRT1 Q96EB6 2/20 0.53
SIRT3 Q9NTG7 2/20 0.53
DPP4 P27487 1/20 0.53
ECE1 P42892 1/20 0.52
TLR2 O60603 1/20 0.51
TACR1 P25103 2/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL7792804 1.00 CTSL (0.66) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL3251530 0.96 CTSL (0.65) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL3251534 0.96 CTSL (0.65) CTSLPRSS1PRSS2PRSS3TPSAB1
Hydrochloric Acid SCHEMBL3176226 0.95 CTSL (0.64) CTSLPRSS1PRSS2PRSS3TPSAB1
Hydrochloric Acid SCHEMBL3176223 0.95 CTSL (0.64) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL2367228 0.90 ITGB3 (0.64) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL1841202 0.90 PRSS1 (0.61) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL1841203 0.90 PRSS1 (0.61) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL210601 0.90 ITGB3 (0.64) CTSLPRSS1PRSS2PRSS3TPSAB1
SCHEMBL210602 0.90 ITGB3 (0.64) CTSLPRSS1PRSS2PRSS3TPSAB1

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-0902780-B1 QUATERNARY CYTOFECTINS VICAL INC (US) 2001-10-31 EP claimed
EP-0902780-A1 QUATERNARY CYTOFECTINS VICAL INCORPORATED (US) 1999-03-24 EP disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997037966-A1 QUATERNARY CYTOFECTINS VICAL INCORPORATED (US) 1997-10-16 WO disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed