(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL3201620

C=C(C)C(=O)OC(C)(N)CC.ClCc1ccccc1

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 4/20 0.35
RECQL P46063 2/20 0.35
HIF1A Q16665 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
Chloromethane SCHEMBL7203979 0.82 ALDH1A1 (0.38) ALDH1A1
(Chloromethyl)Benzene SCHEMBL252406 0.82 ELANE (0.35) ELANEALDH1A1RECQLHIF1ACYP2C19
(Chloromethyl)Benzene SCHEMBL3200943 0.81 CYP2C19 (0.40) RIPK1ALDH1A1RECQLHIF1ACYP2C19
SCHEMBL1231266 0.81 ALDH1A1 (0.39) ALDH1A1
(Chloromethyl)Benzene SCHEMBL3201628 0.80 ALDH1A1 (0.38) ELANEALDH1A1RECQLHIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL7877860 0.79 ALDH1A1 (0.38) ALDH1A1
(Chloromethyl)Benzene SCHEMBL28290709 0.76 ALDH1A1 (0.52) ELANEALDH1A1CYP2C19LMNACYP2D6
(Chloromethyl)Benzene SCHEMBL25426295 0.76 ALDH1A1 (0.48) ALDH1A1RECQLSMN1; SMN2MAPTMEN1
Sulfuric Acid SCHEMBL27634599 0.75 ALDH1A1 (0.34) ALDH1A1
(Chloromethyl)Benzene SCHEMBL27616626 0.74 TDP1 (0.46) ALDH1A1RECQLHIF1ASMN1; SMN2LMNA

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