SCHEMBL6989558

SCHEMBL6989558

CNC(=O)OCc1cccc(-c2ccc(C=C3SC(=O)NC3=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
HPGD P15428 8/20 0.52
AKR1B1 P15121 3/20 0.51
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PIM1 P11309 4/20 0.47
PIM2 Q9P1W9 3/20 0.46
IGF1R P08069 1/20 0.45
GSK3B P49841 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6186393 0.89 PTPN1 (0.50) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL6187415 0.88 PTPN1 (0.48) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL6886206 0.88 PTPN1 (0.49) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL6182857 0.81 MEN1 (0.55) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL6182863 0.81 MEN1 (0.55) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL6185038 0.80 MGLL (0.48)
SCHEMBL5386765 0.78 MAOA (0.54) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL5386774 0.78 MAOA (0.54) PTPN1HPGDAKR1B1POLBMEN1
SCHEMBL6255495 0.77 MGLL (0.52) MEN1KMT2ARAB9A
SCHEMBL5397253 0.77 MEN1 (0.53) PTPN1HPGDAKR1B1POLBMEN1

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
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO disclosed