SCHEMBL5186287

SCHEMBL5186287

COc1ccc2c3ccccc3n(CC(C)(C)C(C)=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.45
PSEN2 P49810 6/20 0.45
APH1B Q8WW43 6/20 0.45
NCSTN Q92542 6/20 0.45
APH1A Q96BI3 6/20 0.45
PSENEN Q9NZ42 6/20 0.45
DYRK1A Q13627 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSPO P30536 3/20 0.43
PLA2G2A P14555 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5185105 0.81 TSPO (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5186838 0.79 KDM4E (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23148493 0.76 GRIK2 (0.56) DYRK1AMEN1KMT2APOLBKDM4E
SCHEMBL5185155 0.76 KDM4E (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8867584 0.75 KDM4E (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22873005 0.74 L3MBTL1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28273388 0.74 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28948755 0.74 DYRK1A (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8867233 0.72 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5186247 0.72 TSPO (0.63) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-1802299-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP disclosed
WO-2006044425-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO disclosed