SCHEMBL8520882

SCHEMBL8520882

ClC(Cl)=CCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
AOC3 Q16853 4/20 0.48
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
KCNA3 P22001 1/20 0.44
ALOX15 P16050 1/20 0.43
MAOB P27338 4/20 0.43
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
AOC2 O75106 2/20 0.39
MAOA P21397 2/20 0.39
DAO P14920 1/20 0.39
PKM P14618 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL11754392 0.92 HTT (0.51) HTTAOC3MAOBMAOA
SCHEMBL11293804 0.84 KDM4E (0.48) HTTALDH1A1MAOBLMNA
SCHEMBL11638167 0.82 AOC3 (0.44) HTTAOC3ALDH1A1RECQLKCNA3
SCHEMBL8206621 0.81 KCNA3 (0.55) ALDH1A1RECQLKCNA3TAAR1
SCHEMBL11849484 0.81 TDP1 (0.46) HTTALDH1A1ALOX15
SCHEMBL11849492 0.81 TDP1 (0.46) HTTALDH1A1ALOX15
SCHEMBL8657700 0.81 HTT (0.40) HTTAOC3ALDH1A1RECQLKCNA3
SCHEMBL2164177 0.81 HTT (0.56) HTTLMNACYP2C19
Hydroquinone SCHEMBL28418782 0.81 HTT (0.56) HTTLMNACYP2C19
SCHEMBL8206633 0.80 KCNA3 (0.53) ALDH1A1RECQLKCNA3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP claimed
US-5922880-A CONTROLLING INSECTS, MITES AND TICKS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-07-13 US disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed