Sugi Predict

Sugi Predict / Compounds / (Chloromethyl)Benzene

(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL3200943

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ THRB P10828 5/20 0.35
▸ RIPK1 Q13546 3/20 0.35
▸ HIF1A Q16665 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ THRA P10827 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ TGM2 P21980 1/20 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
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RECQL P46063 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
(Chloromethyl)Benzene SCHEMBL253266 0.82 CYP2C19 (0.40) CYP2C19ALDH1A1CYP3A4CYP2C9THRB
Chloromethane SCHEMBL8427833 0.82 THRB (0.40) ALDH1A1CYP3A4THRBHIF1ASMN1; SMN2
(Chloromethyl)Benzene SCHEMBL3201620 0.81 RIPK1 (0.35) CYP2C19ALDH1A1RIPK1HIF1ASMN1; SMN2
SCHEMBL2046536 0.81 THRB (0.41) ALDH1A1CYP3A4THRBHIF1ASMN1; SMN2
(Chloromethyl)Benzene SCHEMBL3200951 0.80 THRB (0.42) CYP2C19ALDH1A1CYP3A4CYP2C9THRB
Hydrochloric Acid SCHEMBL7804778 0.79 THRB (0.40) ALDH1A1CYP3A4THRBHIF1ASMN1; SMN2
(Chloromethyl)Benzene SCHEMBL20798103 0.77 THRB (0.47) ALDH1A1THRBSMN1; SMN2MEN1MAPT
(Chloromethyl)Benzene SCHEMBL27533618 0.76 ALDH1A1 (0.44) CYP2C19ALDH1A1CYP3A4CYP2C9THRB
SCHEMBL3248877 0.74 CYP2C19 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9THRB
(Chloromethyl)Benzene SCHEMBL25429849 0.73 MAPT (0.47) CYP2C19ALDH1A1CYP3A4CYP2C9THRB

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 14 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 claimed
CN-110730841-B Reinforcement system and method for the manufacture of a paper web comprising cellulosic fibers 凯米拉公司 2022-05-17 — — CN disclosed
CN-110730841-A Reinforcement system and method for the manufacture of a paper web comprising cellulosic fibers 凯米拉公司 2020-01-24 — — CN disclosed
US-9869060-B2 Polymer and its preparation and use KEMIRA OYJ (FI) 2018-01-16 — — US disclosed
US-9562327-B2 Process for the production of paper AKZO NOBEL N.V. (NL) 2017-02-07 — — US disclosed
US-20150345079-A1 Polymer and its preparation and use AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-12-03 — — US disclosed
CN-104968694-A Polymer and its preparation and use KEMIRA OY 2015-10-07 — — CN disclosed
US-8888957-B2 Process for the production of paper AKZO NOBEL N.V. (NL) 2014-11-18 — — US disclosed
US-20140318727-A1 PROCESS FOR THE PRODUCTION OF PAPER AKZO NOBEL N.V. (NL) 2014-10-30 — — US disclosed
US-20130269894-A1 Process for the production of paper AKZO NOBEL N.V. (NL) 2013-10-17 — — US disclosed
US-8273216-B2 Process for the production of paper AKZO NOBEL N.V. (NL) 2012-09-25 — — US disclosed
EP-2087171-A1 CELLULOSIC PRODUCT Akzo Nobel N.V. (NL) 2009-08-12 — — EP disclosed
WO-2008066488-A1 CELLULOSIC PRODUCT AKZO NOBEL N.V. (NL) 2008-06-05 — — WO disclosed
US-20070151688-A1 Process for the production of paper AKZO NOBEL N.V. (NL) 2007-07-05 — — US disclosed