SCHEMBL4726657

SCHEMBL4726657

CCCCCc1ccc(N(Cc2cccc(-c3cccc(COc4cncc(C(=O)O)c4)c3)c2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
PSMB5 P28074 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
NR4A2 P43354 1/20 0.42
SMPD1 P17405 1/20 0.42
SIRT2 Q8IXJ6 6/20 0.41
SIRT1 Q96EB6 5/20 0.41
SIRT3 Q9NTG7 4/20 0.41
FFAR1 O14842 2/20 0.39
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL4731776 0.97 PTPN1 (0.51) PTPN1PSMB5CYP4F2CYP4A11NR4A2
SCHEMBL4726653 0.86 PTPN1 (0.60) PTPN1CYP4F2CYP4A11NR4A2SIRT2
SCHEMBL14260788 0.86 PTPN1 (0.53) PTPN1CYP4F2CYP4A11NR4A2SMPD1
SCHEMBL14261277 0.85 PTPN1 (0.54) PTPN1CYP4F2CYP4A11NR4A2SIRT2
SCHEMBL4730123 0.84 PTPN1 (0.66) PTPN1PSMB5CYP4F2CYP4A11NR4A2
SCHEMBL14260784 0.81 PTPN1 (0.56) PTPN1CYP4F2CYP4A11NR4A2SIRT2
SCHEMBL4730504 0.76 PTPN1 (0.65) PTPN1PSMB5SMPD1SIRT2SIRT1
SCHEMBL4730857 0.76 PTPN1 (0.51) PTPN1FFAR1
SCHEMBL14260783 0.73 PTPN1 (0.48) PTPN1SIRT2SIRT1SIRT3
SCHEMBL14261225 0.72 PTPN1 (0.76) PTPN1NR4A2FFAR1

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 claimed