Orthocresol

Orthocresol

SCHEMBL28147283

CCCCCCCCCCCCCCCCCC(=O)OCCCC.Cc1ccccc1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.56
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
DNM1 Q05193 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
EPHX2 P34913 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CNR2 P34972 3/20 0.45

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
Catechol SCHEMBL28332909 0.91 DGKA (0.62) DGKATSHRALDH1A1MEN1KMT2A
O-Xylene SCHEMBL31519872 0.88 DGKA (0.62) DGKATSHRALDH1A1LMNADNM1
Toluic Acid SCHEMBL5300136 0.83 DGKA (0.53) DGKATSHRALDH1A1MEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL9466865 0.82 ALDH1A1 (0.58) TSHRALDH1A1MEN1KMT2ALMNA
O-Xylene SCHEMBL29132905 0.82 TSHR (0.54) DGKATSHRALDH1A1MEN1KMT2A
Ethyl Salicylate SCHEMBL28887652 0.81 TSHR (0.61) DGKATSHRALDH1A1LMNATDP1
Benzene SCHEMBL29219618 0.81 DGKA (0.77) DGKATSHRALDH1A1MEN1KMT2A
Benzene SCHEMBL28221195 0.81 DGKA (0.77) DGKATSHRALDH1A1MEN1KMT2A
Orthocresol SCHEMBL11973862 0.81 TSHR (0.50) TSHRALDH1A1MEN1KMT2ALMNA
Toluene SCHEMBL28304376 0.81 DGKA (0.61) DGKATSHRALDH1A1LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106687148-A Delivery systems comprising malodor reduction compositions 宝洁公司 2017-05-17 CN claimed