SCHEMBL8315784

SCHEMBL8315784

COc1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.62
MAOA P21397 3/20 0.62
MAOB P27338 3/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
ADRA2A P08913 1/20 0.55
HRH2 P25021 1/20 0.55
SLC6A4 P31645 1/20 0.55
HRH1 P35367 1/20 0.55
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
CA2 P00918 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SSTR3 P32745 1/20 0.48

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
SCHEMBL8317016 1.00 KDM1A (0.62) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8313921 1.00 KDM1A (0.62) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8318520 0.86 KDM4E (0.53) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL11684508 0.86 MEN1 (0.74) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL11684541 0.86 MEN1 (0.74) KDM1AMAOAMAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL11685544 0.84 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL11685219 0.84 MEN1 (0.73) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL696157 0.83 MEN1 (0.64) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8317756 0.82 ALDH1A1 (0.81) KDM1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL8316219 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1KDM4EPOLB

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