SCHEMBL4049745

SCHEMBL4049745

CCOC(CC)c1ccc(COc2ccc(C=C3SC(Nc4ccc(NS(=O)(=O)C(F)(F)F)cc4)=NC3=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
PPARG P37231 1/20 0.38
PTPN1 P18031 2/20 0.37
ALOX5 P09917 5/20 0.37
HPGD P15428 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.33
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL4049742 1.00 FFAR1 (0.38) FFAR1PPARGPTPN1ALOX5HPGD
SCHEMBL4051990 0.91 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4053526 0.91 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4053974 0.90 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4053976 0.90 PTPN1 (0.39) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4050377 0.89 PTPN1 (0.40) PTPN1ALOX5HPGDMEN1KMT2A
SCHEMBL4050707 0.89 ALOX5 (0.41) PTPN1ALOX5HPGDPOLB
SCHEMBL4059814 0.89 ALOX5 (0.41) PTPN1ALOX5HPGDPOLB
SCHEMBL4050710 0.89 ALOX5 (0.41) PTPN1ALOX5HPGDPOLB
SCHEMBL4059813 0.89 ALOX5 (0.41) PTPN1ALOX5HPGDPOLB

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed