SCHEMBL4728519

SCHEMBL4728519

CCC(CC)c1ccc(N(Cc2nc(-c3ccc(COc4cncc(C(=O)O)c4)cc3)cs2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
ALOX5 P09917 1/20 0.36
MMP13 P45452 8/20 0.36
MMP2 P08253 4/20 0.35
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
SIRT3 Q9NTG7 2/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 2/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL5999251 0.94 PTPN1 (0.44) PTPN1PTPN2ALOX5MMP13MMP2
SCHEMBL4730748 0.92 PTPN1 (0.45) PTPN1PTPN2ALOX5MMP13SIRT2
SCHEMBL5999470 0.88 PTPN1 (0.49) PTPN1PTPN2ALOX5MMP13FFAR1
SCHEMBL6000654 0.87 PTPN1 (0.42) PTPN1PTPN2ALOX5MMP13SIRT2
SCHEMBL6000633 0.86 PTPN1 (0.43) PTPN1PTPN2ALOX5MMP13SIRT2
SCHEMBL6000020 0.84 PTPN1 (0.48) PTPN1PTPN2ALOX5PPARDPPARA
SCHEMBL6000167 0.83 PTPN1 (0.49) PTPN1PTPN2ALOX5MMP13MMP2
SCHEMBL6000958 0.83 PTPN1 (0.44) PTPN1PTPN2ALOX5FFAR1PPARD
SCHEMBL6000467 0.83 ALOX5 (0.42) PTPN1PTPN2ALOX5RXRARXRB
SCHEMBL6001039 0.83 PTPN1 (0.47) PTPN1PTPN2ALOX5RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed