SCHEMBL92795

SCHEMBL92795

CN(C)C(=O)c1ccc(-c2ccccc2)cc1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
DCLRE1A Q6PJP8 1/20 0.50
DCLRE1B Q9H816 1/20 0.50
HNF4A P41235 2/20 0.44
ACMSD Q8TDX5 2/20 0.44
ACLY P53396 4/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
PTGS1 P23219 1/20 0.41
DHFR P00374 1/20 0.40
MCL1 Q07820 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A9 P48067 1/20 0.40
NPC1 O15118 1/20 0.40
HSD17B1 P14061 1/20 0.40

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
SCHEMBL27713376 0.84 DCLRE1A (0.47) MEN1KMT2ASMN1; SMN2DCLRE1ADCLRE1B
SCHEMBL27542931 0.81 EGFR (0.52) MEN1KMT2ASMN1; SMN2DCLRE1ADCLRE1B
SCHEMBL5255270 0.78 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL19320913 0.75 MEN1 (0.46) MEN1KMT2ASMN1; SMN2DCLRE1ADCLRE1B
SCHEMBL13681701 0.74 DCLRE1B (0.66) DCLRE1ADCLRE1BHNF4AACMSDACLY
SCHEMBL19326038 0.74 MEN1 (0.45) MEN1KMT2ASMN1; SMN2DCLRE1ADCLRE1B
SCHEMBL6982127 0.72 EGFR (0.52) MEN1KMT2ASMN1; SMN2DCLRE1ADCLRE1B
SCHEMBL15655701 0.72 MEN1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31502385 0.72 MCL1 (0.48) MEN1KMT2ASMN1; SMN2PTGS1MCL1
SCHEMBL3148557 0.72 DCLRE1A (0.47) MEN1KMT2ADCLRE1ADCLRE1BHNF4A

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-8129496-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-06 US disclosed
US-20080219135-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING GLOBALFOUNDRIES U.S. INC. 2008-09-11 US disclosed