SCHEMBL8668045

SCHEMBL8668045

COc1ccc2c(c1)c(OC(C)=O)c(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 4/20 0.41
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 3/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
PTGS2 P35354 1/20 0.39
PTGS1 P23219 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
SCHEMBL8673753 0.85 HTR6 (0.43) POLBHTTMAPTHSD17B10MEN1
SCHEMBL31370521 0.81 KDM4E (0.43) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL18919047 0.80 KDM4E (0.42) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL6026089 0.79 CNR2 (0.56) POLBHTTMAPTHSD17B10MEN1
SCHEMBL8579955 0.79 LMNA (0.65) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL2073076 0.78 AKR1C3 (0.68) MAPTMEN1KMT2AKDM4EAKR1C3
SCHEMBL1076364 0.77 PTGS2 (0.65) MAPTMEN1KMT2AKDM4EAKR1C3
SCHEMBL5822660 0.77 AKR1C3 (0.65) MAPTMEN1KMT2AKDM4EAKR1C3
SCHEMBL5554095 0.77 AKR1C3 (0.56) MAPTMEN1KMT2AKDM4EAKR1C3
SCHEMBL3240338 0.76 PTGS1 (0.48) POLBMAPTMEN1KMT2AKDM4E

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-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed