SCHEMBL7982060

SCHEMBL7982060

CCc1cc(O)cc(C)c1OCCCC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7982240 0.97 CNR1 (0.46) MAPTALDH1A1SMN1; SMN2MDH1MDH2
SCHEMBL7975955 0.87 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2MDH1MDH2
SCHEMBL8067304 0.87 GAA (0.47) SMN1; SMN2LMNAGAAL3MBTL1
SCHEMBL7978803 0.84 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2MDH1MDH2
SCHEMBL7965693 0.82 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MDH1MDH2
SCHEMBL8405776 0.82 MRGPRX4 (0.43) MDH1MDH2
SCHEMBL8406355 0.82 PPARD (0.43) MDH1MDH2
SCHEMBL7976054 0.81 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL7979330 0.80 PPARD (0.46) MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL7979214 0.80 PPARD (0.48) ALDH1A1L3MBTL1

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