SCHEMBL9040690

SCHEMBL9040690

Cc1c(O)c(Cl)cc(Cl)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
AKR1C2 P52895 4/20 0.44
AKR1C1 Q04828 4/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.39
GLRA3 O75311 1/20 0.39

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
SCHEMBL2787863 0.83 DPP4 (0.57) TTRDPP4ALDH1A1HSD17B10KMT2A
SCHEMBL6828265 0.82 TTR (0.44) TTRDPP4ALDH1A1HSD17B10KMT2A
SCHEMBL6238025 0.80 DPP4 (0.62) TTRDPP4ALDH1A1HSD17B10KMT2A
SCHEMBL8797780 0.78 HSD17B10 (0.52) TTRDPP4ALDH1A1HSD17B10KMT2A
SCHEMBL27849302 0.77 ALDH1A1 (0.52) TTRDPP4ALDH1A1HSD17B10KMT2A
SCHEMBL11038432 0.77 HSD17B10 (0.52) TTRALDH1A1HSD17B10KMT2AHPGD
SCHEMBL28030639 0.76 DPP4 (0.53) TTRDPP4ALDH1A1HSD17B10KMT2A
SCHEMBL8467731 0.75 MYC (0.43) ALDH1A1HSD17B10KMT2AHPGDMEN1
SCHEMBL7959177 0.75 ALDH1A1 (0.46) DPP4ALDH1A1HSD17B10KMT2AGAA
SCHEMBL5961110 0.75 AKR1C2 (0.59) TTRALDH1A1HSD17B10KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535192-B1 NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME HOFFMANN LA ROCHE (CH) 1996-06-19 EP disclosed
US-5486466-A ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-01-23 US disclosed
US-5399741-A DNA gyrase inhibitors, process for their manufacture and pharmaceutical preparations containing same HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5294609-A Microbiocides HOFFMANN-LAROCHE INC. (US) 1994-03-15 US disclosed
EP-0535192-A1 NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME. HOFFMANN LA ROCHE (CH) 1993-04-07 EP disclosed
WO-1992018490-A1 NOVEL DNA GYRASE INHIBITORS, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME F. HOFFMANN-LA ROCHE AG (CH) 1992-10-29 WO disclosed