SCHEMBL27865151

SCHEMBL27865151

CC(C)(C)OC(=O)C(N)(CCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SYK P43405 1/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HIF1A Q16665 1/20 0.36
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL11763275 1.00 ALDH1A1 (0.43) ALDH1A1SYKHTTLTA4HKMT2A
SCHEMBL27567814 0.89 ALDH1A1 (0.42) ALDH1A1SYKHTTLTA4HKMT2A
SCHEMBL27706533 0.87 ALDH1A1 (0.43) ALDH1A1SYKLTA4HKMT2AMAPK1
SCHEMBL11169957 0.86 ALDH1A1 (0.45) ALDH1A1SYKHTTLTA4HKMT2A
SCHEMBL27703130 0.86 ALDH1A1 (0.45) ALDH1A1SYKHTTLTA4HKMT2A
SCHEMBL28761645 0.86 ALDH1A1 (0.42) ALDH1A1SYKLTA4HKMT2AMAPK1
SCHEMBL28796022 0.85 LMNA (0.42) ALDH1A1SYKLTA4HKMT2AMAPK1
SCHEMBL27697836 0.85 ALDH1A1 (0.46) ALDH1A1SYKLTA4HKMT2AMAPK1
SCHEMBL6016191 0.85 ALDH1A1 (0.46) ALDH1A1SYKLTA4HKMT2AMAPK1
SCHEMBL27703135 0.85 ALDH1A1 (0.46) ALDH1A1SYKLTA4HKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020961-A Antiviral compound 吉利德制药有限责任公司 2018-12-18 CN disclosed
CN-104230900-B Antiviral compound 吉利德制药有限责任公司 2018-10-19 CN disclosed
CN-106588890-A Antiviral compounds 吉利德制药有限责任公司 2017-04-26 CN disclosed
CN-104016971-B Antiviral compound PHARMASSET INC. (US) 2016-05-25 CN disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104016971-A Antiviral compounds GILEAD SCIENCES INC 2014-09-03 CN disclosed
CN-102596936-B Antiviral compounds GILEAD SCIENCES INC 2014-06-11 CN disclosed
CN-102596936-A Antiviral compounds GILEAD SCIENCES INC 2012-07-18 CN disclosed