SCHEMBL7965646

SCHEMBL7965646

Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1OCCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.46
FFAR4 Q5NUL3 6/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.38
PYGL P06737 1/20 0.38
FFAR1 O14842 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HTT P42858 1/20 0.37
PDK2 Q15119 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL7978808 0.96 FFAR4 (0.47) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7977851 0.93 MCL1 (0.47) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7965637 0.91 PYGL (0.43) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7977597 0.89 KDM4E (0.46) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7977381 0.89 FFAR4 (0.48) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7975719 0.87 FFAR4 (0.41) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7975821 0.87 MCL1 (0.42) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL8405459 0.86 KDM4E (0.40) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL7979198 0.86 MCL1 (0.46) MCL1FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL8408745 0.85 TP53 (0.39) MCL1FFAR4CYP3A4KCNH2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 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-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed