SCHEMBL7975955

SCHEMBL7975955

Cc1cc(O)cc(Cl)c1OCCCC(=O)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 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
RHOC P08134 2/20 0.44
RHOA P61586 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
CETP P11597 1/20 0.43
CYP1A2 P05177 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL7978803 0.97 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7965693 0.93 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7979385 0.90 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7982060 0.87 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7979030 0.87 GAA (0.44) POLBLMNA
SCHEMBL7982240 0.84 CNR1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7965794 0.84 DEGS1 (0.47) CYP3A4CYP2D6CYP2C19POLBLMNA
SCHEMBL7965640 0.80 RHOC (0.51) ALDH1A1RHOCRHOA
SCHEMBL8406354 0.80 PPARA (0.40) CYP3A4RHOCRHOA
SCHEMBL8408847 0.80 PPARA (0.42) CYP3A4RHOCRHOA

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