SCHEMBL7977597

SCHEMBL7977597

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MCL1 Q07820 4/20 0.45
ALDH1A1 P00352 3/20 0.42
FFAR4 Q5NUL3 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
PYGL P06737 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
FFAR1 O14842 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 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
SCHEMBL7979198 0.96 MCL1 (0.46) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL7975637 0.92 PYGL (0.45) KDM4EMCL1FFAR4CYP3A4KCNH2
SCHEMBL7977616 0.92 KDM4E (0.44) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL7965646 0.89 MCL1 (0.46) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL7979029 0.88 MCL1 (0.44) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL7976263 0.88 PYGL (0.41) KDM4EMCL1FFAR4CYP3A4KCNH2
SCHEMBL8409215 0.87 KDM4E (0.41) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL7979636 0.86 MCL1 (0.39) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL7978808 0.86 FFAR4 (0.47) KDM4EMCL1ALDH1A1FFAR4CYP3A4
SCHEMBL8409895 0.85 KDM4E (0.41) KDM4EMCL1ALDH1A1CYP3A4TDP1

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