SCHEMBL7979174

SCHEMBL7979174

O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(Br)o1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.53
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
GRM4 Q14833 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 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
SCHEMBL7977379 0.96 HPGD (0.55) ALDH1A1HPGDNPC1L3MBTL1GLA
SCHEMBL7977790 0.83 ALDH1A1 (0.47) ALDH1A1HPGDNPC1L3MBTL1GLA
SCHEMBL27495649 0.81 ALDH1A1 (0.53) ALDH1A1HPGDNPC1L3MBTL1GLA
SCHEMBL8082381 0.80 HPGD (0.47) ALDH1A1HPGDNPC1L3MBTL1GLA
SCHEMBL7965659 0.80 ALDH1A1 (0.59) ALDH1A1HPGDNPC1L3MBTL1RAB9A
SCHEMBL27559608 0.78 HPGD (0.53) ALDH1A1HPGDNPC1L3MBTL1GLA
SCHEMBL8077387 0.76 ALDH1A1 (0.60) ALDH1A1HPGDNPC1L3MBTL1RAB9A
SCHEMBL7977626 0.76 NPC1 (0.53) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7979206 0.76 RAB9A (0.55) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL7981982 0.75 HDAC3 (0.42) ALDH1A1HPGDNPC1RAB9AKMT2A

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