SCHEMBL6955840

SCHEMBL6955840

Cc1c(COC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
PPARA Q07869 2/20 0.39
CTSS P25774 1/20 0.38
PPARG P37231 1/20 0.37
PABPC1 P11940 1/20 0.36
SCN9A Q15858 4/20 0.35
RAB9A P51151 1/20 0.35
PTPN1 P18031 4/20 0.35
CDC25B P30305 4/20 0.35
PTPN2 P17706 3/20 0.35
CDC25A P30304 2/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
CCKBR P32239 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL6955835 1.00 KLK7 (0.41) KLK7KLK5PPARACTSSPPARG
SCHEMBL6961818 0.93 PABPC1 (0.42) CTSSPABPC1SCN9A
SCHEMBL6961824 0.93 PABPC1 (0.42) CTSSPABPC1SCN9A
SCHEMBL6968920 0.92 KLK7 (0.42) KLK7KLK5PABPC1SCN9ACCNT1
SCHEMBL6968925 0.89 SCN9A (0.34) KLK7KLK5PABPC1SCN9ACCNT1
SCHEMBL6955844 0.89 SCN9A (0.35) PABPC1SCN9ACCNT1CCNA2CDK2
SCHEMBL7688087 0.88 POLB (0.39) KLK7KLK5PABPC1SCN9ATLR2
SCHEMBL7688088 0.88 POLB (0.39) KLK7KLK5PABPC1SCN9ATLR2
SCHEMBL6967519 0.87 SCN9A (0.35) PABPC1SCN9A
SCHEMBL6967521 0.87 SCN9A (0.35) PABPC1SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed