SCHEMBL7976313

SCHEMBL7976313

O=C(CCCCOc1c(Cl)cc(O)cc1Cl)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 5/20 0.48
NPC1 O15118 3/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 1/20 0.44
RPS6KA3 P51812 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.42
PTGS1 P23219 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7965473 0.97 LMNA (0.47) DEGS1NPC1MAPK1GLAL3MBTL1
SCHEMBL7965794 0.93 DEGS1 (0.47) DEGS1NPC1MAPK1GLAL3MBTL1
SCHEMBL7979030 0.90 GAA (0.44) DEGS1NPC1MAPK1GLAL3MBTL1
SCHEMBL7979385 0.84 ALDH1A1 (0.49) HDAC1HDAC8LMNAMAPTHPGD
SCHEMBL7076123 0.82 PRKAB2 (0.42) NPC1RPS6KA3POLBGAARAB9A
SCHEMBL7965693 0.81 ALDH1A1 (0.50) HDAC1HDAC8LMNAPOLBMAPT
SCHEMBL7238775 0.81 PRKAB2 (0.43) DEGS1NPC1RPS6KA3POLBGAA
SCHEMBL8067304 0.80 GAA (0.47) DEGS1NPC1MAPK1GLAL3MBTL1
SCHEMBL7978803 0.79 ALDH1A1 (0.48) HDAC1HDAC8MAPTSMN1; SMN2
SCHEMBL7073751 0.78 MRGPRX4 (0.47) MAPK1L3MBTL1LMNAPOLBRAB9A

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US claimed
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-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