SCHEMBL15917286

SCHEMBL15917286

O=C(C=Cc1ccc(O)cc1)[C@]1(O)C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 6/20 0.60
GAA P10253 6/20 0.60
POLB P06746 5/20 0.60
P4HB P07237 4/20 0.60
MAPT P10636 4/20 0.60
EPHX2 P34913 4/20 0.60
CA12 O43570 4/20 0.60
CA4 P22748 4/20 0.60
CA7 P43166 4/20 0.60
CA2 P00918 3/20 0.60
ALPI P09923 2/20 0.60
LMNA P02545 2/20 0.60
ADRA2C P18825 1/20 0.60
NOX4 Q9NPH5 1/20 0.60
KDM1A O60341 1/20 0.60
SLCO2B1 O94956 1/20 0.60
ALPL P05186 1/20 0.60
HMGB1 P09429 1/20 0.60

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
SCHEMBL15194206 0.85 CA12 (0.59) AKR1B1L3MBTL1KDM4EGAAPOLB
SCHEMBL572246 0.84 CA12 (0.56) AKR1B1L3MBTL1KDM4EGAAPOLB
SCHEMBL572227 0.80 CBS (0.59) KDM4EPOLBCA12CA4CA7
SCHEMBL18530250 0.80 KDM4E (0.72) AKR1B1L3MBTL1KDM4EGAAPOLB
SCHEMBL18530191 0.80 KDM4E (0.72) AKR1B1L3MBTL1KDM4EGAAPOLB
SCHEMBL381888 0.79 L3MBTL1 (0.49) L3MBTL1KDM4EGAAPOLBMAPT
SCHEMBL2817757 0.77 CBS (0.63) KDM4EPOLBP4HBCA12CA4
SCHEMBL18530210 0.77 P4HB (0.65) AKR1B1L3MBTL1KDM4EGAAPOLB
SCHEMBL5015176 0.77 P4HB (0.65) AKR1B1L3MBTL1KDM4EGAAPOLB
Avicularin SCHEMBL25174412 0.77 AKR1B1 (1.00) AKR1B1L3MBTL1KDM4EGAAPOLB

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-10005809-B2 Bio-active antioxidants from plant foods for nutraceutical product development CHOUDHARY M IQBAL (PK) 2018-06-26 US disclosed
US-20140221634-A1 BIO-ACTIVE ANTIOXIDANTS FROM PLANT FOODS FOR NUTRACEUTICAL PRODUCT DEVELOPMENT CHOUDHARY M IQBAL (PK) 2014-08-07 US disclosed