SCHEMBL4473539

SCHEMBL4473539

CCCCCc1c(O)cccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 5/20 0.56
BID P55957 4/20 0.56
MCL1 Q07820 4/20 0.56
BCL2L1 Q07817 3/20 0.56
BAK1 Q16611 3/20 0.56
PPARA Q07869 2/20 0.56
EP300 Q09472 2/20 0.56
KAT5 Q92993 2/20 0.56
SAE1 Q9UBE0 2/20 0.56
PPARG P37231 1/20 0.56
KAT2A Q92830 1/20 0.56
KAT2B Q92831 1/20 0.56
PLK1 P53350 1/20 0.53
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
MMP2 P08253 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
ECE1 P42892 1/20 0.49

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
SCHEMBL5271367 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL5271556 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL6436997 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL6435534 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL28182972 0.98 KAT8 (0.55) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL6434109 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL5272268 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL5273325 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL2821516 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1
SCHEMBL5274232 0.98 KAT8 (0.59) KAT8BIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130934-B A kind of butylphenyl phthaleine bulk pharmaceutical chemicals product and preparation method thereof 石药集团恩必普药业有限公司 2018-11-23 CN claimed
CN-107216298-B Preparation method of butylphthalide 北京科莱博医药开发有限责任公司 2020-01-31 CN disclosed
CN-105130934-B A kind of butylphenyl phthaleine bulk pharmaceutical chemicals product and preparation method thereof 石药集团恩必普药业有限公司 2018-11-23 CN disclosed
CN-107216298-A A kind of preparation method of butylphenyl phthaleine 北京科莱博医药开发有限责任公司 2017-09-29 CN disclosed
CN-105517988-A 5-bromine-2-([alpha]-hydroxypentyl)benzoic acid sodium salts in different crystal forms, and preparation method thereof ZHEJIANG AUSUN PHARMACEUTICAL CO LTD 2016-04-20 CN disclosed
EP-2048140-A1 Deuterated chemiluminescent 1,2-dioxetanes Giri, Brij P. (US) 2009-04-15 EP disclosed
EP-1453822-A4 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2004-11-24 EP disclosed
EP-1453822-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2004-09-08 EP disclosed
WO-2003054506-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ PAL (US) 2003-07-03 WO disclosed