SCHEMBL7982095

SCHEMBL7982095

Cc1cc(OCC=C(Br)Br)cc(C)c1OCCN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.40
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL8050892 0.93 KDM4E (0.36) PLAUKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL7979192 0.91 KDM4E (0.38) PLAUKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL7981941 0.90 PLAU (0.40) PLAUKDM4EALDH1A1KMT2A
SCHEMBL7982158 0.90 KDM4E (0.37) PLAUKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL7979323 0.89 PLAU (0.36) PLAUKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8405318 0.85 KDM4E (0.37) PLAUKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8408748 0.85 KDM4E (0.37) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7978918 0.85 PLAU (0.40) PLAUCYP1A2CYP2D6S1PR1S1PR3
SCHEMBL8409409 0.85 KDM4E (0.37) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7982351 0.84 KDM4E (0.38) PLAUKDM4EMEN1ALDH1A1CYP1A2

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 5 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
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