SCHEMBL7977616

SCHEMBL7977616

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MCL1 Q07820 1/20 0.43
FFAR4 Q5NUL3 3/20 0.41
PPARA Q07869 3/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7979029 0.96 MCL1 (0.44) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7977597 0.92 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7979636 0.92 MCL1 (0.39) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7979198 0.88 MCL1 (0.46) KDM4EALDH1A1MCL1FFAR4CYP3A4
SCHEMBL7979298 0.88 MCL1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7977851 0.87 MCL1 (0.47) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7975967 0.85 THRA (0.47) KDM4EALDH1A1PPARAFFAR1PPARG
SCHEMBL7975637 0.84 PYGL (0.45) KDM4EMCL1FFAR4PPARACYP3A4
SCHEMBL8408780 0.83 MEN1 (0.39) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8409029 0.83 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2ACYP1A2

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