(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL3201628

C=C(C)C(=O)OCC(C)(C)N.ClCc1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MMP8 P22894 1/20 0.33
TSHR P16473 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
SCHEMBL29113227 0.82 ALDH1A1 (0.50) ALDH1A1SLC6A2TAAR1SMN1; SMN2TDP1
Chloromethane SCHEMBL7203982 0.82 TSHR (0.45) ALDH1A1POLBTDP1APEX1HTT
(Chloromethyl)Benzene SCHEMBL3200951 0.81 THRB (0.42) ALDH1A1SLC6A2TAAR1SMN1; SMN2HIF1A
SCHEMBL150582 0.80 TSHR (0.47) ALDH1A1POLBTDP1APEX1HTT
(Chloromethyl)Benzene SCHEMBL3201620 0.80 RIPK1 (0.35) ALDH1A1SLC6A2TAAR1ELANESMN1; SMN2
Hydrochloric Acid SCHEMBL7877858 0.78 TSHR (0.45) ALDH1A1POLBTDP1APEX1HTT
Ammonia Solution, Strong SCHEMBL27914280 0.78 TSHR (0.45) ALDH1A1POLBTDP1APEX1HTT
(Chloromethyl)Benzene SCHEMBL252406 0.78 ELANE (0.35) ALDH1A1ELANESMN1; SMN2HIF1APOLB
(Chloromethyl)Benzene SCHEMBL28290709 0.77 ALDH1A1 (0.52) ALDH1A1ELANEKDM4ETSHR
(Chloromethyl)Benzene SCHEMBL25426295 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047404-A1 PACKAGING LAMINATE AKZO NOBEL N.V. (NL) 2010-02-25 US disclosed
US-20100038266-A1 Packaging Laminate AKZO NOBEL N.V. (NL) 2010-02-18 US disclosed