SCHEMBL7965729

SCHEMBL7965729

CC(CCOc1c(Cl)cc(O)cc1Cl)NC(=O)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
ACACB O00763 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL27483366 0.83 KMT2A (0.53) KMT2AALDH1A1HPGDACACBSMN1; SMN2
SCHEMBL7965659 0.79 ALDH1A1 (0.59) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8077387 0.78 ALDH1A1 (0.60) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7982275 0.76 TAS1R3 (0.46) KMT2AALDH1A1HPGDACACBSMN1; SMN2
SCHEMBL7073262 0.74 ALDH1A1 (0.47) KMT2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL21041221 0.71 KMT2A (0.68) KMT2AALDH1A1ACACBSMN1; SMN2GAA
SCHEMBL1106975 0.70 KMT2A (0.62) KMT2AALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL14846340 0.67 LIPG (0.61)
SCHEMBL15901974 0.67 LIPG (0.61)
SCHEMBL17333776 0.66 CYP1A2 (0.39) KMT2AALDH1A1HPGDKDM4EMEN1

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 6 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
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