SCHEMBL9302315

SCHEMBL9302315

COc1ccc(C(CCCN2CCN(CC(O)COc3cc(OC)c(OC)c(OC)c3)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KCNH2 Q12809 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9302474 0.86 L3MBTL1 (0.64) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL9272796 0.82 TP53 (0.50) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL9187274 0.79 MAPT (0.60) KDM4EMAPTMEN1KMT2AKCNH2
SCHEMBL9192429 0.79 KCNH2 (0.64) KDM4EMAPTKMT2AKCNH2MAPK1
SCHEMBL9301048 0.78 MEN1 (0.53) MAPTMEN1KMT2AKCNH2L3MBTL1
SCHEMBL9303300 0.77 L3MBTL1 (0.70) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL9301602 0.76 TSHR (0.64) KDM4EMAPTMEN1KMT2AKCNH2
SCHEMBL9300891 0.76 TSHR (0.64) KDM4EMAPTMEN1KMT2AKCNH2
SCHEMBL9301630 0.76 MAPT (0.55) KDM4EMAPTMEN1KMT2AKCNH2
SCHEMBL9301397 0.76 MAPT (0.57) KDM4EMAPTMEN1KMT2AKCNH2

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
US-5342839-A Useful for therapy of oxygen deficiency diseases of the brain BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
EP-0435902-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE. BASF AG (DE) 1991-07-10 EP disclosed
WO-1990003371-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1990-04-05 WO disclosed