SCHEMBL9814072

SCHEMBL9814072

COc1ccc(Cl)c(O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.41
MAPT P10636 5/20 0.41
MAPK1 P28482 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ALOX12 P18054 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
S1PR1 P21453 1/20 0.39
OPRK1 P41145 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
SCHEMBL69364 0.84 MAPT (0.48) MAPTMAPK1ALDH1A1HPGDKDM4E
SCHEMBL9335491 0.82 MAPK1 (0.46) CLCN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL28436581 0.82 HIF1A (0.53) MAPTMAPK1ALDH1A1HPGDKDM4E
Pentachlorophenol SCHEMBL7590198 0.81 MAPK1 (0.41) CLCN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL23723833 0.78 KMT2A (0.42) MAPTMAPK1ALDH1A1HPGDKDM4E
SCHEMBL28056190 0.78 IDO1 (0.44) MAPTMAPK1ALDH1A1HPGDKDM4E
SCHEMBL23723768 0.78 ALDH1A1 (0.41) MAPTMAPK1ALDH1A1HPGDKDM4E
SCHEMBL11114571 0.78 MAPT (0.39) CLCN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL30715275 0.78 ALDH1A1 (0.46) CLCN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL53547 0.78 ALDH1A1 (0.46) CLCN2MAPTMAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299890-B1 PROCESS FOR THE CHLORINATION OF PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1991-12-11 EP claimed
EP-0283411-B1 PROCESS FOR CHLORINATING PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1991-08-07 EP claimed
EP-0255452-B1 PROCESS FOR CHLORINATING PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1990-01-24 EP claimed
US-4885408-A USING GASEOUS CHLORINE IN PRESENCE OF LEWIS ACIDS RHONE-POULENC CHIMIE (FR) 1989-12-05 US claimed
US-4855513-A Chlorination of phenolic compounds RHONE-POULENC CHIMIE (FR) 1989-08-08 US claimed
US-4954662-A Selective chlorination of ortho-substituted phenols RHONE-POULENC CHIMIE (FR) 1990-09-04 US disclosed
US-4885408-A USING GASEOUS CHLORINE IN PRESENCE OF LEWIS ACIDS RHONE-POULENC CHIMIE (FR) 1989-12-05 US disclosed
US-4855513-A Chlorination of phenolic compounds RHONE-POULENC CHIMIE (FR) 1989-08-08 US disclosed