SCHEMBL7979152

SCHEMBL7979152

O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.57
HPGD P15428 1/20 0.52
NPC1 O15118 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 4/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
THRB P10828 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
SCHEMBL7975941 0.96 KDM4E (0.58) GAAKDM4ESMN1; SMN2HPGDNPC1
SCHEMBL8075601 0.82 GAA (0.53) GAAKDM4ESMN1; SMN2HPGDNPC1
SCHEMBL27494860 0.81 GAA (0.60) GAAKDM4ESMN1; SMN2HPGDNPC1
SCHEMBL7071768 0.80 ALDH1A1 (0.48) KDM4ESMN1; SMN2HPGDNPC1HTT
SCHEMBL7979206 0.80 RAB9A (0.55) GAASMN1; SMN2HPGDNPC1LMNA
SCHEMBL8063185 0.80 NPC1 (0.51) GAAKDM4ESMN1; SMN2NPC1LMNA
SCHEMBL7977471 0.78 HDAC1 (0.42) GAAHPGDKMT2AALDH1A1
SCHEMBL27481559 0.78 KDM4E (0.56) GAAKDM4ESMN1; SMN2HPGDNPC1
SCHEMBL1935628 0.77 GAA (1.00) GAAKDM4ESMN1; SMN2HPGDNPC1
SCHEMBL7977626 0.77 NPC1 (0.53) GAASMN1; SMN2NPC1CYP1A2CYP2C19

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