SCHEMBL7019157

SCHEMBL7019157

Nc1cc(C(=O)O)c2c(C(=O)O)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
IDO1 P14902 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
CASP7 P55210 2/20 0.44
ALOX15 P16050 2/20 0.44
MCL1 Q07820 2/20 0.44
CYP3A4 P08684 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL9362663 0.89 HSD17B10 (0.46) HSD17B10IDO1NR4A1NR4A2NR4A3
SCHEMBL23409308 0.84 IDO1 (0.43) HSD17B10IDO1NR4A1NR4A2NR4A3
SCHEMBL29903129 0.84 IDO1 (0.43) HSD17B10IDO1NR4A1NR4A2NR4A3
SCHEMBL29903128 0.84 IDO1 (0.43) HSD17B10IDO1NR4A1NR4A2NR4A3
SCHEMBL29404347 0.80 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1
SCHEMBL68291 0.80 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1
SCHEMBL7624693 0.80 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1
Benzene SCHEMBL28110156 0.80 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1
SCHEMBL3686506 0.79 MEN1 (0.66) HSD17B10NR4A1NR4A2NR4A3MEN1
SCHEMBL30879448 0.79 MEN1 (0.66) HSD17B10NR4A1NR4A2NR4A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP claimed
US-6107447-A LIQUID CRYSTALLINE POLYMERS HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) 2000-08-22 US disclosed
EP-0374534-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-06-27 EP disclosed
US-4052378-A RED PIGMENT OBTAINED BY COUPLING DIAZOTIZED 4-AMINONAPHTHALIMIDE WITH 2,6-DIHYDROXY-3-CYANO-4-METHYLPYRIDINE BASF FARBEN + FASERN AG (DT) 1977-10-04 US disclosed