SCHEMBL8317756

SCHEMBL8317756

COc1cc(CN[C@@H]2CCCC[C@H]2NCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
KDM4E B2RXH2 3/20 0.81
POLB P06746 1/20 0.74
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM1A O60341 2/20 0.59
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HRH2 P25021 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
MITF O75030 2/20 0.51
TSHR P16473 1/20 0.49

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
SCHEMBL8313921 0.82 KDM1A (0.62) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8317016 0.82 KDM1A (0.62) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8315784 0.82 KDM1A (0.62) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8318520 0.78 KDM4E (0.53) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL9616992 0.76 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL9616994 0.76 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL9542251 0.74 GAA (0.71) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8313950 0.72 SSTR3 (0.64) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL680502 0.72 PTGS2 (0.59) ALDH1A1KDM4EPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL10447200 0.72 POLB (0.67) ALDH1A1KDM4EPOLBMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787716-B1 Isoprene derivatives NISSHIN FLOUR MILLING CO (JP) 1999-12-08 EP disclosed
US-5756475-A POLYISOPRENE MODIFIED WITH AMINE WITH ANTICANCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-26 US disclosed
EP-0787716-A1 Isoprene derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-08-06 EP disclosed