SCHEMBL6441235

SCHEMBL6441235

Cc1cccc(/C=C\CO)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
FABP4 P15090 1/20 0.39
PTPN1 P18031 1/20 0.38
CASP1 P29466 1/20 0.36
PDCD1 Q15116 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
RPA1 P27694 1/20 0.36
MCL1 Q07820 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
RET P07949 1/20 0.35
MYC P01106 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6547166 0.84 PTGER1 (0.38) PTGER1PTGER4PTGER3PTGER2FABP4
SCHEMBL6547635 0.81 TLR8 (0.43) PTGER1PTGER4PTGER3PTGER2FABP4
SCHEMBL3165882 0.81 ALDH1A1 (0.46) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL4078766 0.81 ALDH1A1 (0.46) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL29285198 0.79 PDCD1 (0.51) PDCD1CD274
SCHEMBL29285199 0.79 PDCD1 (0.51) PDCD1CD274
SCHEMBL6546792 0.78 PTGS1 (0.40) FABP4CASP1RPA1MCL1FGFR1
SCHEMBL6546806 0.78 PTGS1 (0.40) FABP4CASP1RPA1MCL1FGFR1
SCHEMBL27994690 0.78 TRPA1 (0.40) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL9818110 0.76 CA1 (0.53) PTGER1PTGER4PTGER3PTGER2FABP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed