SCHEMBL6420344

SCHEMBL6420344

CC(=O)c1ccccc1C(OC(=O)CC(O)(CC(=O)O)C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 6/20 0.38
LMNA P02545 6/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC13A5 Q86YT5 10/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 2/20 0.33
GMNN O75496 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL6420334 0.88 CYP2C19 (0.36) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL7607192 0.84 ALDH1A1 (0.48) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL6420340 0.82 CYP2C19 (0.42) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL27469877 0.77 CYP2C19 (0.39) CYP2C19HIF1AKDM4ELMNAMEN1
Citric Acid SCHEMBL27746321 0.73 CYP2C19 (0.45) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL27800485 0.72 CYP2C19 (0.36) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL28041672 0.71 HIF1A (0.38) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL5071051 0.71 CYP2C9 (0.52) CYP2C19HIF1ALMNAMEN1CYP1A2
SCHEMBL21296994 0.70 ALDH1A1 (0.48) CYP2C19HIF1AKDM4ELMNAMEN1
SCHEMBL7607187 0.70 CYP2C19 (0.42) CYP2C19HIF1AMEN1CYP1A2CYP2D6

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-20050045064-A1 Cellulose acylate film for optical use, and producing method thereof FUJI PHOTO FILM CO., LTD. (JP) 2005-03-03 US disclosed