SCHEMBL29980735

SCHEMBL29980735

COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC)cc3O)cc2O)cc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.87
HPGD P15428 3/20 0.87
POLB P06746 4/20 0.80
KMT2A Q03164 2/20 0.80
ACHE P22303 1/20 0.65
MAPK1 P28482 3/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GLO1 Q04760 1/20 0.57
GAA P10253 2/20 0.52
PTGES O14684 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
G6PD P11413 1/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL950536 0.93 CYP3A4 (1.00) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL22799151 0.89 KMT2A (0.78) CYP3A4HPGDPOLBKMT2AACHE
Evernic Acid SCHEMBL2552354 0.89 POLB (1.00) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL28891353 0.86 POLB (0.74) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL29814285 0.83 KMT2A (0.69) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL22799229 0.83 KMT2A (0.69) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL6493747 0.82 CYP3A4 (0.79) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL11067587 0.82 CYP3A4 (0.79) CYP3A4HPGDPOLBKMT2AACHE
SCHEMBL7947084 0.81 CYP3A4 (0.57) CYP3A4HPGDPOLBKMT2AACHE
Methyl Orsellinate SCHEMBL370816 0.79 CYP3A4 (1.00) CYP3A4HPGDPOLBKMT2AACHE

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
CN-113209140-B Plant-derived extracellular vesicles, uses thereof and products comprising same 上海圣特佳健康科技发展有限公司 2022-11-22 CN disclosed
CN-115281216-A Application of brevibacillus brevis ZLP-151 in biological prevention and control 河北省科学院生物研究所 2022-11-04 CN disclosed
CN-115287230-A Bacillus megaterium ZLP-21 and application thereof 河北省科学院生物研究所 2022-11-04 CN disclosed