SCHEMBL14260784

SCHEMBL14260784

CCC(CC)c1ccc(N(Cc2cccc(-c3ccc(COc4cncc(C(=O)O)c4)cn3)c2)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
CYP4F2 P78329 7/20 0.43
CYP4A11 Q02928 7/20 0.43
SIRT2 Q8IXJ6 6/20 0.41
SIRT1 Q96EB6 5/20 0.41
SIRT3 Q9NTG7 5/20 0.41
MRGPRX4 Q96LA9 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
LTC4S Q16873 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL4726653 0.92 PTPN1 (0.60) PTPN1CYP4F2CYP4A11SIRT2SIRT1
SCHEMBL4730123 0.91 PTPN1 (0.66) PTPN1CYP4F2CYP4A11SIRT2SIRT1
SCHEMBL4730504 0.83 PTPN1 (0.65) PTPN1SIRT2SIRT1SIRT3PTGES
SCHEMBL14260783 0.83 PTPN1 (0.48) PTPN1SIRT2SIRT1SIRT3MRGPRX4
SCHEMBL14260788 0.82 PTPN1 (0.53) PTPN1CYP4F2CYP4A11SIRT2SIRT1
SCHEMBL4726657 0.81 PTPN1 (0.47) PTPN1CYP4F2CYP4A11SIRT2SIRT1
SCHEMBL14261277 0.80 PTPN1 (0.54) PTPN1CYP4F2CYP4A11SIRT2SIRT1
SCHEMBL6001055 0.80 PTPN1 (0.47) PTPN1SIRT2SIRT1SIRT3MRGPRX4
SCHEMBL14261225 0.80 PTPN1 (0.76) PTPN1MRGPRX4PTGESALOX5LTC4S
SCHEMBL14261224 0.80 PTPN1 (0.76) PTPN1MRGPRX4PTGESALOX5LTC4S

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