SCHEMBL17422690

SCHEMBL17422690

COc1cc(Br)nc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
SMPD3 Q9NY59 2/20 0.45
ERN1 O75460 3/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PRNP P04156 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL21093498 0.79 HSD17B10 (0.40) MAPTLMNAKMT2ANQO2HPGD
SCHEMBL17416879 0.74 PKM (0.50) PTGS2ALOX5ERN1ALDH1A1CA12
SCHEMBL17416883 0.74 EGFR (0.42) PTGS2ALOX5SMPD3ERN1MAPT
SCHEMBL29987998 0.74 NQO2 (0.52) PTGS2ALOX5MAPTALDH1A1PRNP
SCHEMBL2430945 0.74 NQO2 (0.42) ALOX5MAPTALDH1A1PRNPNPSR1
SCHEMBL3210739 0.74 NQO2 (0.52) PTGS2ALOX5MAPTALDH1A1PRNP
SCHEMBL19350458 0.72 GAA (0.46) ERN1MAPTALDH1A1NPSR1LMNA
SCHEMBL26093177 0.72 ERN1 (0.44) PTGS2ALOX5ERN1MAPTALDH1A1
SCHEMBL3208142 0.72 SMPD3 (0.41) PTGS2ALOX5SMPD3ERN1MAPT
SCHEMBL24582223 0.71 TTR (0.42) PRNPNPSR1LMNAKMT2ANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166611-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2020-09-16 EP disclosed
EP-3166611-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2020-09-16 EP disclosed
EP-3166927-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2020-04-22 EP disclosed
EP-3166612-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3166612-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3166611-A1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS Dow AgroSciences LLC (US) 2017-05-17 EP disclosed
EP-3166612-A1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS Dow AgroSciences LLC (US) 2017-05-17 EP disclosed
EP-3166927-A1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS Dow AgroSciences LLC (US) 2017-05-17 EP disclosed
WO-2016007638-A1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed
WO-2016007637-A1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed
WO-2016007634-A1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed