SCHEMBL7965659

SCHEMBL7965659

O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 3/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL8077387 0.96 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PKMKMT2AMEN1
SCHEMBL7979620 0.82 KMT2A (0.51) ALDH1A1SMN1; SMN2PKMKMT2AMEN1
SCHEMBL27515183 0.81 KMT2A (0.63) ALDH1A1SMN1; SMN2PKMKMT2AMEN1
SCHEMBL7073262 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL7979206 0.80 RAB9A (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL7979174 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDMAPK1
SCHEMBL7965729 0.79 KMT2A (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL7981982 0.78 HDAC3 (0.42) ALDH1A1KMT2AHPGDNPC1RAB9A
SCHEMBL27493294 0.78 KMT2A (0.59) ALDH1A1SMN1; SMN2PKMKMT2AMEN1
SCHEMBL7977626 0.77 NPC1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1

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
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
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