SCHEMBL17150170

SCHEMBL17150170

CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)CC3)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 8/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ ALOX12 P18054 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ THPO P40225 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66

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
SCHEMBL29928997 0.81 MAPT (0.43) NFKB1MEN1MAPTKMT2AKDM4E
SCHEMBL29929578 0.81 MAPT (0.43) NFKB1MEN1MAPTKMT2AKDM4E
SCHEMBL29929152 0.81 MAPT (0.43) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL29928920 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL6694400 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL29900892 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL2524109 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL29584417 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL29772022 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E
Rottlerin SCHEMBL1537089 0.79 KDM4E (1.00) NFKB1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283114-A1 PKC Delta Inhibitors for use as Therapeutics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 — — US disclosed
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