SCHEMBL4730748

SCHEMBL4730748

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.44
SIRT2 Q8IXJ6 7/20 0.36
SIRT3 Q9NTG7 7/20 0.36
SIRT1 Q96EB6 6/20 0.36
MMP13 P45452 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP26A1 O43174 1/20 0.35
MAOB P27338 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL6000633 0.94 PTPN1 (0.43) PTPN1PTPN2SIRT2SIRT3SIRT1
SCHEMBL4728519 0.92 PTPN1 (0.47) PTPN1PTPN2SIRT2SIRT3SIRT1
SCHEMBL5999251 0.86 PTPN1 (0.44) PTPN1PTPN2MMP13ALOX5SMN1; SMN2
SCHEMBL6000654 0.86 PTPN1 (0.42) PTPN1PTPN2SIRT2SIRT3SIRT1
SCHEMBL4730504 0.83 PTPN1 (0.65) PTPN1SIRT2SIRT3SIRT1MMP13
SCHEMBL6000652 0.81 PTPN2 (0.54) PTPN1PTPN2SIRT2SIRT3SIRT1
SCHEMBL5999470 0.81 PTPN1 (0.49) PTPN1PTPN2MMP13ALOX5SMN1; SMN2
SCHEMBL6000958 0.79 PTPN1 (0.44) PTPN1PTPN2ALOX5SMN1; SMN2PPARD
SCHEMBL6000020 0.78 PTPN1 (0.48) PTPN1PTPN2ALOX5PPARDPPARA
SCHEMBL6000167 0.77 PTPN1 (0.49) PTPN1PTPN2MMP13ALOX5SMN1; 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
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