SCHEMBL7956133

SCHEMBL7956133

COc1ccc(CC2(CCO)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6998261 0.91 SMN1; SMN2 (0.46) MEN1KMT2AMAPK1SMN1; SMN2LMNA
SCHEMBL7954561 0.90 MEN1 (0.40) MEN1KMT2AMAPK1SMN1; SMN2LMNA
SCHEMBL6992507 0.90 ALDH1A1 (0.45) KDM4EMAPK1SMN1; SMN2LMNAPOLB
SCHEMBL6999204 0.90 MAPK1 (0.46) MEN1KMT2AMAPK1POLBALDH1A1
SCHEMBL6995389 0.87 KMT2A (0.39) MEN1KMT2AMAPK1SMN1; SMN2LMNA
SCHEMBL7983383 0.87 KMT2A (0.42) KDM4EMEN1KMT2AMAPK1LMNA
SCHEMBL7947626 0.87 KDM4E (0.39) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6992902 0.84 USP2 (0.40) MEN1KMT2AMAPK1SMN1; SMN2POLB
SCHEMBL7495346 0.84 ALDH1A1 (0.43) KDM4EMAPK1SMN1; SMN2LMNAPOLB
SCHEMBL7961305 0.83 KDM4E (0.39) KDM4EMEN1KMT2AMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed