SCHEMBL7978808

SCHEMBL7978808

Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1OCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.47
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
MCL1 Q07820 3/20 0.47
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.41
FFAR1 O14842 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7965646 0.96 MCL1 (0.46) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7977381 0.92 FFAR4 (0.48) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7975719 0.91 FFAR4 (0.41) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7979198 0.89 MCL1 (0.46) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7977851 0.89 MCL1 (0.47) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7965637 0.87 PYGL (0.43) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7979343 0.87 MCL1 (0.43) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL8405610 0.86 KDM4E (0.38) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL7977597 0.86 KDM4E (0.46) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL8405459 0.85 KDM4E (0.40) FFAR4CYP3A4KCNH2CACNA1CSCN5A

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 4 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