SCHEMBL7975941

SCHEMBL7975941

O=C(NCCCCOc1c(Cl)cc(O)cc1Cl)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
HTT P42858 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 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
SCHEMBL7979152 0.96 GAA (0.62) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL27481559 0.81 KDM4E (0.56) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7979207 0.80 GPR84 (0.51) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7979212 0.80 NPC1 (0.50) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL8075601 0.79 GAA (0.53) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7071768 0.79 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9AHTT
SCHEMBL7979205 0.79 HDAC1 (0.43) GAAHPGDKMT2AHDAC3HDAC1
SCHEMBL27494860 0.78 GAA (0.60) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7979398 0.78 HDAC3 (0.51) GAASMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6127192 0.77 KDM4E (0.89) KDM4EGAASMN1; SMN2NPC1RAB9A

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 9 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-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US claimed
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 claimed
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 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
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