SCHEMBL9164074

SCHEMBL9164074

COc1ccc(CC[C@@H](C)NCCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
KCNH2 Q12809 2/20 0.56
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC22A1 O15245 1/20 0.51
CA12 O43570 1/20 0.51
EGFR P00533 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CA3 P07451 1/20 0.51

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
SCHEMBL9164083 1.00 HTT (0.78) HTTSMN1; SMN2MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL9817747 0.99 HTT (0.76) HTTSMN1; SMN2MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL9817744 0.99 HTT (0.76) HTTSMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL19505658 0.89 HTT (1.00) HTTSMN1; SMN2MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL11266237 0.88 HTT (0.72) HTTSMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL22192868 0.88 LMNA (0.67) HTTSMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL22222297 0.84 KMT2A (0.66) SMN1; SMN2MEN1KMT2APOLBATM
SCHEMBL11804567 0.84 SMN1; SMN2 (0.55) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL9160205 0.83 ATM (0.59) HTTSMN1; SMN2KMT2AKCNH2POLB
Hydrochloric Acid SCHEMBL28898436 0.83 KCNH2 (0.56) HTTSMN1; SMN2MEN1KMT2AKCNH2

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-0443606-B1 4-(4-alkoxyphenyl)-2-butylamine derivatives and process therefor SHIONOGI & CO (JP) 1995-05-10 EP disclosed