SCHEMBL7979636

SCHEMBL7979636

CCc1cc(OCC=C(Br)Br)cc(C)c1OCCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 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 4/20 0.37
THRB P10828 4/20 0.37
PPARA Q07869 3/20 0.37
FFAR1 O14842 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL7979298 0.96 MCL1 (0.40) MCL1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL7977616 0.92 KDM4E (0.44) MCL1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL7975821 0.88 MCL1 (0.42) MCL1THRATHRBPPARAFFAR1
SCHEMBL7979029 0.88 MCL1 (0.44) MCL1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL8409064 0.87 KDM4E (0.34) MCL1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL8405671 0.87 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7977597 0.86 KDM4E (0.46) MCL1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL8063193 0.86 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8407472 0.85 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8408370 0.85 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6

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