SCHEMBL7416679

SCHEMBL7416679

CC(C)(C)OC(=O)NCc1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.49
NAMPT P43490 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KCNA5 P22460 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
DRD2 P14416 2/20 0.41
HDAC1 Q13547 1/20 0.40
BCHE P06276 1/20 0.40
SYK P43405 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ATM Q13315 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1861965 0.85 NQO2 (0.46) NAMPTCA12CA1MALT1IDO1
SCHEMBL11547647 0.84 TSHR (0.42) KCNA5HDAC1ATM
SCHEMBL27993419 0.78 KDM4A (0.43) KDM4ANAMPTCA12CA1L3MBTL1
SCHEMBL30159605 0.77 KCNA5 (0.56) KDM4ANAMPTCA12CA1CA7
SCHEMBL8018113 0.77 KCNA5 (0.56) KDM4ANAMPTCA12CA1CA7
SCHEMBL754247 0.77 NPSR1 (0.46) HDAC1L3MBTL1
SCHEMBL16935642 0.77 RIPK1 (0.40) CA1CA7CA14HDAC1
SCHEMBL1232632 0.77 RAB9A (0.48) L3MBTL1CYP1A2
SCHEMBL1196309 0.77 GAA (0.47) KDM4ANAMPTIDO1DRD2L3MBTL1
SCHEMBL4988588 0.77 NAMPT (0.49) KDM4ANAMPTCA12CA1CA7

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-106834081-A A kind of vertical purple potato pears compound fruit vinegar fermentation tank control system and its method of work 徐州工程学院 2017-06-13 CN claimed
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 CN disclosed
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
CN-112272553-A Substituted benzofurans, benzopyrrole, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2021-01-26 CN disclosed
CN-109790146-A Medical compounds 阿尔麦克探索有限公司 2019-05-21 CN disclosed
CN-106834081-A A kind of vertical purple potato pears compound fruit vinegar fermentation tank control system and its method of work 徐州工程学院 2017-06-13 CN disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
EP-1216236-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-06-26 EP disclosed
WO-2001019809-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-22 WO disclosed