SCHEMBL9263164

SCHEMBL9263164

CCOC(=O)c1cc2cc(OCC)ccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.80
ALDH1A1 P00352 3/20 0.80
HPGD P15428 3/20 0.80
RAB9A P51151 3/20 0.80
NPC1 O15118 2/20 0.80
LMNA P02545 2/20 0.80
HTT P42858 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.80
SMN1; SMN2 Q16637 2/20 0.72
HSD17B10 Q99714 1/20 0.72
PDGFRB P09619 2/20 0.67
PDGFRA P16234 2/20 0.67
HRH3 Q9Y5N1 1/20 0.67
MEN1 O00255 1/20 0.66
GLA P06280 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.66
ATM Q13315 1/20 0.66
MMP13 P45452 5/20 0.65

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
SCHEMBL862913 0.91 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5841102 0.89 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3031260 0.89 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL75327 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7380603 0.89 ALOX15 (0.68) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL2769403 0.88 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31370745 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL4815909 0.88 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5842371 0.87 KDM4E (0.69) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL13173588 0.87 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed