SCHEMBL7965964

SCHEMBL7965964

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK14 Q16539 1/20 0.34
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8075519 0.85 NPC1 (0.49) RHOCRHOAHDAC3HDAC1ALDH1A1
SCHEMBL7977366 0.85 NPC1 (0.48) RHOCRHOAHDAC3HDAC1ALDH1A1
SCHEMBL8060916 0.84 HPGD (0.51) HDAC3HDAC1HTTALDH1A1HPGD
SCHEMBL8065540 0.83 NPC1 (0.51) RHOCRHOAALDH1A1HPGDSMN1; SMN2
SCHEMBL8077400 0.83 MAPT (0.47) RHOCRHOAALDH1A1HPGDSMN1; SMN2
SCHEMBL7981982 0.82 HDAC3 (0.42) MCL1RHOCRHOAHDAC3HDAC1
SCHEMBL8061945 0.82 KMT2A (0.47) RHOCRHOAALDH1A1SMN1; SMN2NPC1
SCHEMBL8051038 0.82 MCHR1 (0.48) RHOCRHOAHDAC3HDAC1HTT
SCHEMBL7976340 0.82 NPC1 (0.45) RHOCRHOAHDAC3HDAC1ALDH1A1
SCHEMBL7965943 0.82 MCHR1 (0.38) RHOCRHOAHDAC3HDAC1HTT

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 3 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 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
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