SCHEMBL7979385

SCHEMBL7979385

O=C(CCCCOc1c(Cl)cc(O)cc1Cl)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
RHOC P08134 4/20 0.47
RHOA P61586 4/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL7965693 0.96 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL7978803 0.93 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL7975955 0.90 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL7976313 0.84 DEGS1 (0.48) MAPTSMN1; SMN2HDAC1HDAC8LMNA
SCHEMBL7982378 0.83 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL7982240 0.82 CNR1 (0.46) ALDH1A1MAPTSMN1; SMN2HDAC1HDAC8
SCHEMBL8408667 0.82 RHOC (0.41) SMN1; SMN2HDAC1KCNJ5KCNJ3RHOC
SCHEMBL7965473 0.81 LMNA (0.47) HDAC1HDAC8LMNA
SCHEMBL7965794 0.80 DEGS1 (0.47) HDAC1HDAC8CYP3A4CYP2D6CYP2C19
SCHEMBL8408415 0.80 RHOC (0.41) KCNJ5KCNJ3RHOCRHOAMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP claimed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US claimed
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