Chlorobenzene

Chlorobenzene

SCHEMBL1194559

C=CC(OCC1CO1)c1ccccc1.Clc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 3/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL194266 0.93 TDP1 (0.46) TDP1ALDH1A1GLACYP3A4TSHR
SCHEMBL1270207 0.86 TDP1 (0.41) TDP1ALDH1A1GLACYP3A4TSHR
SCHEMBL28136768 0.83 MGLL (0.38) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL4776489 0.81 TDP1 (0.35) TDP1ALDH1A1GLA
SCHEMBL28323523 0.78 ALDH1A1 (0.44) TDP1ALDH1A1MGLLSLC6A3
SCHEMBL6525597 0.78 HPGD (0.43) ALDH1A1CYP3A4MGLLCYP2D6CYP2C19
SCHEMBL29393285 0.75 TDP1 (0.44) TDP1ALDH1A1GLACYP3A4TSHR
SCHEMBL28866610 0.75 MGLL (0.33) TDP1ALDH1A1MGLLSLC6A3
SCHEMBL28258813 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL8371560 0.75 HTR1A (0.30) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884169-B2 hot-press molding material; producing a thermoplastic cellulose composition by ring-opening polymerization of cyclic ester with oligoesterified cellulose comprising a wood cellulosic material, with hydroxyl group to which polybasic acid anhydride and polyhydric alcohol are added; can be recycled AGRI FUTURE JOETSU CO., LTD (JP) 2011-02-08 US disclosed
US-20080306235-A1 Thermoplastic Cellulose Composition, Method for Producing the Same, and Molded Product Using the Same AGRI FUTURE JOETSU CO., LTD. (JP) 2008-12-11 US disclosed
EP-1762583-A1 THERMOPLASTIC CELLULOSIC COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF Agri Future Joetsu Co., Ltd. (JP) 2007-03-14 EP disclosed