SCHEMBL8075601

SCHEMBL8075601

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.45
NPC1 O15118 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL8060900 0.85 HPGD (0.40) HTTHPGDNPC1CYP1A2CYP2C19
SCHEMBL7245714 0.83 ALDH1A1 (0.44) SMN1; SMN2HTTLMNAHPGDNPC1
SCHEMBL8075519 0.83 NPC1 (0.49) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL8067389 0.83 NPC1 (0.44) GAASMN1; SMN2HTTLMNANPC1
SCHEMBL7979152 0.82 GAA (0.62) GAAKDM4ESMN1; SMN2HTTLMNA
SCHEMBL8067282 0.82 NPC1 (0.55) SMN1; SMN2HPGDNPC1CYP1A2RAB9A
SCHEMBL8065554 0.82 HTT (0.36) KDM4ESMN1; SMN2HTTLMNAHPGD
SCHEMBL7965943 0.82 MCHR1 (0.38) KDM4ESMN1; SMN2HTTHPGDNPC1
SCHEMBL8065667 0.81 NPC1 (0.42) GAASMN1; SMN2HTTLMNAHPGD
SCHEMBL7977366 0.81 NPC1 (0.48) SMN1; SMN2HPGDNPC1CYP1A2RAB9A

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 2 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 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