Chlorothymol

Chlorothymol

SCHEMBL6430628

CCc1c(O)cc(C)c(Cl)c1C.Cc1cc(O)c(C(C)C)cc1Cl

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
PKM P14618 2/20 0.40
GAA P10253 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
SIRT1 Q96EB6 1/20 0.36
POLB P06746 1/20 0.34
CHRM1 P11229 2/20 0.34
ADRA1A P35348 2/20 0.34
HTR2B P41595 2/20 0.34
TRPA1 O75762 1/20 0.34
SLC6A2 P23975 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL6910713 0.89 LMNA (0.51) LMNAPKMGAAALDH1A1MAPT
Chlorothymol SCHEMBL159122 0.82 LMNA (1.00) LMNAPKMGAAALDH1A1MAPT
SCHEMBL574465 0.82 ALDH1A1 (0.53) LMNAPKMGAAALDH1A1MAPT
Chlorothymol SCHEMBL29431017 0.82 LMNA (1.00) LMNAPKMGAAALDH1A1MAPT
Chlorocresol SCHEMBL7860266 0.77 CYP3A4 (0.42) LMNAGAAALDH1A1MAPTSIRT1
SCHEMBL7863389 0.76 LMNA (0.54) LMNAPKMGAAALDH1A1MAPT
SCHEMBL28985909 0.76 LMNA (0.54) LMNAPKMGAAALDH1A1MAPT
SCHEMBL29587740 0.75 LMNA (0.84) LMNAPKMGAAALDH1A1MAPT
SCHEMBL5532293 0.75 LMNA (0.84) LMNAPKMGAAALDH1A1MAPT
SCHEMBL574476 0.73 LMNA (0.67) LMNAPKMGAAALDH1A1MAPK1

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-20050233930-A1 Disinfectant cleaning compositions RECKITT BENCKISER INC. (US) 2005-10-20 US disclosed
EP-1248830-A1 ANTIMICROBIAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-10-16 EP disclosed
EP-1176947-A1 ANTIMICROBIAL WIPES THE PROCTER & GAMBLE COMPANY (US) 2002-02-06 EP disclosed
WO-2001053444-A1 ANTIMICROBIAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-07-26 WO disclosed
WO-2000061105-A1 ANTIMICROBIAL WIPES THE PROCTER & GAMBLE COMPANY (US) 2000-10-19 WO disclosed