SCHEMBL7982240

SCHEMBL7982240

CCc1cc(O)cc(C)c1OCCCCC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MDH1 P40925 1/20 0.43
MDH2 P40926 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RORC P51449 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 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
SCHEMBL7982060 0.97 MAPT (0.44) CNR1CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7978803 0.87 ALDH1A1 (0.48) CNR1CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7975955 0.84 ALDH1A1 (0.49) CNR2ALDH1A1MAPTSMN1; SMN2MDH1
SCHEMBL8067304 0.84 GAA (0.47) SMN1; SMN2GAAL3MBTL1
SCHEMBL8405776 0.83 MRGPRX4 (0.43) MDH1MDH2
SCHEMBL7979385 0.82 ALDH1A1 (0.49) CNR1CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7979214 0.81 PPARD (0.48) ALDH1A1L3MBTL1
SCHEMBL8406355 0.81 PPARD (0.43) MDH1MDH2
SCHEMBL7979330 0.80 PPARD (0.46) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL7965693 0.79 ALDH1A1 (0.50) CNR1CNR2ALDH1A1MAPTSMN1; SMN2

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