Orthocresol

Orthocresol

SCHEMBL574630

Cc1ccccc1O.Oc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.51
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
ALOX15 P16050 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BACE1 P56817 2/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
BCL2L1 Q07817 1/20 0.47
THRB P10828 1/20 0.45
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL29383789 0.88 BACE1 (0.62) ESR2HPGDMAPTMEN1ALOX15
SCHEMBL329155 0.88 BACE1 (0.62) ESR2HPGDMAPTMEN1ALOX15
2-Phenylphenol SCHEMBL574631 0.87 HPGD (0.57) ESR2HPGDMAPTMEN1ALOX15
Methane SCHEMBL27581120 0.86 BACE1 (0.60) ESR2HPGDMAPTMEN1ALOX15
Phosphine SCHEMBL27555075 0.86 BACE1 (0.60) ESR2HPGDMAPTMEN1ALOX15
SCHEMBL28097322 0.82 BACE1 (0.56) ESR2HPGDMAPTMEN1ALOX15
2-Phenylphenol SCHEMBL10722979 0.80 HPGD (0.74) ESR2HPGDMAPTMEN1ALOX15
Chloroxylenol SCHEMBL9540232 0.77 MAPT (0.46) ESR2HPGDMAPTMEN1ALOX15
SCHEMBL20241915 0.77 BACE1 (0.53) ESR2HPGDMAPTMEN1ALOX15
SCHEMBL10388611 0.76 CYP1A2 (0.46) ESR2MAPTMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224125-A1 ALCOHOL-FREE SLIGHTLY-ALCOHOLIC ORAL CARE COMPOSITION AND A PROCESS FOR PREPARING SAME ISP INVESTMENTS INC. 2013-08-29 US disclosed
WO-2012018519-A1 AN ALCOHOL-FREE SLIGHTLY-ALCOHOLIC ORAL CARE COMPOSITION AND A PROCESS FOR PREPARING SAME ISP INVESTMENTS INC. (US) 2012-02-09 WO disclosed
EP-1248830-A1 ANTIMICROBIAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-10-16 EP disclosed
WO-2001053444-A1 ANTIMICROBIAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-07-26 WO disclosed
WO-2001053443-A1 ANTIMICROBIAL CLEANSING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-07-26 WO disclosed