SCHEMBL8077587

SCHEMBL8077587

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KDM4E B2RXH2 3/20 0.37
POLB P06746 3/20 0.36
DRD4 P21917 5/20 0.35
DRD2 P14416 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7976279 0.89 ALDH1A1 (0.40) HTTKDM4EPOLBSMN1; SMN2CYP1A2
SCHEMBL4045393 0.86 CA12 (0.45) HTTDRD2CYP2D6TDP1CYP2C19
SCHEMBL7976286 0.86 HTT (0.40) HTTKDM4EPOLBSMN1; SMN2CYP1A2
SCHEMBL8060882 0.83 RAB9A (0.50) HTTPOLBSMN1; SMN2MAPTCYP1A2
SCHEMBL7979325 0.82 HTT (0.40) HTTKDM4ESMN1; SMN2NPSR1CYP1A2
SCHEMBL7965715 0.81 KDM4E (0.41) HTTKDM4EPOLBSMN1; SMN2CYP1A2
SCHEMBL8065554 0.81 HTT (0.36) HTTKDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL8075519 0.80 NPC1 (0.49) POLBSMN1; SMN2RECQLALDH1A1TDP1
SCHEMBL8060900 0.80 HPGD (0.40) HTTPOLBCYP1A2ALDH1A1CYP2C19
SCHEMBL7979456 0.80 CYP1A2 (0.39) HTTKDM4ESMN1; SMN2CYP1A2ALDH1A1

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 1 patent. 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