Chlorobenzene

Chlorobenzene

SCHEMBL28117409

C=C1OC(=O)OC1(C)C.Clc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.38
HSD11B1 P28845 3/20 0.38
ELANE P08246 2/20 0.35
IDO1 P14902 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
PGR P06401 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PTGS1 P23219 2/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.30

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
Benzene SCHEMBL28837499 0.87 IDO1 (0.34) ALDH1A1ELANEIDO1CTSGPRTN3
SCHEMBL47839 0.81
Ethylene SCHEMBL29076185 0.79 LMNA (0.30)
SCHEMBL29161444 0.72 ALDH1A1 (0.41) ALDH1A1HSD11B1ELANEPGR
SCHEMBL1694489 0.71 HCAR3 (0.44) ALDH1A1HSD11B1IDO1HCAR3HCAR2
SCHEMBL7159312 0.65
Chlorobenzene SCHEMBL27893021 0.65 TSHR (0.79) ALDH1A1TSHRIDO1
Chlorobenzene SCHEMBL22288197 0.65
SCHEMBL17210654 0.64 HCAR3 (0.33) IDO1HCAR3HCAR2
SCHEMBL18700446 0.64

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-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed