Chlorobenzene

Chlorobenzene

SCHEMBL27814509

Clc1ccccc1.O=C(CF)OC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ TSHR P16473 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MITF O75030 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 2/20 0.47

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
SCHEMBL27410860 0.82 TDP1 (0.62) TDP1TSHRALDH1A1L3MBTL1LMNA
2,4-Dichlorophenoxyacetic Acid SCHEMBL27814510 0.79 TDP1 (0.82) TDP1TSHRNPC1RAB9AMAPT
SCHEMBL1496077 0.78 TDP1 (0.65) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL11655261 0.77 TDP1 (0.64) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL14959826 0.77 TDP1 (0.64) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL6098184 0.77 TDP1 (0.55) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL28372328 0.76 TDP1 (0.62) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL27374983 0.76 TDP1 (0.61) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL14361927 0.75 TDP1 (0.70) TDP1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL27374559 0.75 TDP1 (0.71) TDP1TSHRALDH1A1L3MBTL1GAA

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-101690462-B Chemical method and reagent for castor fertility transition SHANXI JINZUO CASTOR OIL PLANT SCIENCE AND TECHNOLOGY LTD 2011-07-20 — — CN disclosed
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