SCHEMBL3645230

SCHEMBL3645230

CC(C)(C)Cc1cc(CC=O)c(O)cn1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
AOX1 Q06278 1/20 0.30

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
SCHEMBL19700919 0.76 ESR1 (0.34) KDM4EALDH1A1HPGD
SCHEMBL3644652 0.76
SCHEMBL1977996 0.75
SCHEMBL12867289 0.71 HPGD (0.32) HPGD
SCHEMBL1768060 0.71
SCHEMBL2076822 0.71 HTT (0.36) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL3645829 0.67 KDM4E (0.33) KDM4EALDH1A1LMNAHPGD
SCHEMBL12867277 0.66 LNPEP (0.36)
SCHEMBL5783319 0.65 ALOX15 (0.50) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL21325077 0.64 ESR1 (0.33)

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-2167471-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2010-03-31 EP disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed