SCHEMBL8645281

SCHEMBL8645281

CNC(=O)C(=O)c1ccccc1Oc1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.51
SLC6A4 P31645 5/20 0.51
KCNH2 Q12809 4/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ULK1 O75385 1/20 0.39
TSHR P16473 1/20 0.39
CTNNB1 P35222 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
SCHEMBL8642917 0.83 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2GAAHTTMEN1
SCHEMBL8369610 0.82 HTR2A (0.45) HTR2ASLC6A4KCNH2RAB9AGAA
SCHEMBL8780068 0.82 HTR2A (0.45) HTR2ASLC6A4KCNH2RAB9AGAA
SCHEMBL8369608 0.82 HTR2A (0.45) HTR2ASLC6A4KCNH2RAB9AGAA
SCHEMBL8769371 0.82 CTNNB1 (0.57) LMNARAB9ASMN1; SMN2GAAHTT
SCHEMBL10825614 0.82 HTR2A (0.51) HTR2ASLC6A4KCNH2LMNASMN1; SMN2
SCHEMBL6437841 0.81 HTT (0.54) HTR2ASLC6A4GAAHTTKDM4E
SCHEMBL10897162 0.80 ALDH1A1 (0.51) HTR2ASLC6A4LMNASMN1; SMN2HTT
SCHEMBL5405611 0.72 ALDH1A1 (0.51) SLC6A4SMN1; SMN2GAAHTTKDM4E
SCHEMBL8370606 0.72 HTR2A (0.40) HTR2ASLC6A4KCNH2GAAHTT

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
US-5770614-A EXCELLENT ACTIVITY OF CONTROLLING PSEUDOCERCOSPORELLA HERPOTRICHOIDES SHIONOGI & CO., LTD. (JP) 1998-06-23 US disclosed
EP-0760363-A1 2-(SUBSTITUTED PHENYL)-2-ALKOXYIMINO-N-ALKYLACETAMIDE COMPOUND AND BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-03-05 EP disclosed