SCHEMBL6420340

SCHEMBL6420340

CC(=O)c1ccc(C(OC(=O)CC(O)(CC(=O)O)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
KIF11 P52732 2/20 0.41
SLC13A5 Q86YT5 4/20 0.39
LMNA P02545 5/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GMNN O75496 1/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 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
SCHEMBL7607192 0.89 ALDH1A1 (0.48) CYP2C19HIF1ASLC13A5LMNAKDM4E
SCHEMBL6420344 0.82 CYP2C19 (0.40) CYP2C19HIF1ASLC13A5LMNAKDM4E
SCHEMBL27469877 0.81 CYP2C19 (0.39) CYP2C19HIF1ASLC13A5LMNAKDM4E
Citric Acid SCHEMBL27746321 0.77 CYP2C19 (0.45) CYP2C19HIF1ASLC13A5LMNAKDM4E
SCHEMBL27800485 0.77 CYP2C19 (0.36) CYP2C19HIF1ASLC13A5LMNAKDM4E
SCHEMBL28842730 0.77 KMT2A (0.50) CYP2C19HIF1ALMNAKDM4EKMT2A
SCHEMBL28041672 0.76 HIF1A (0.38) CYP2C19HIF1ASLC13A5LMNAKDM4E
Citric Acid SCHEMBL28842731 0.74 HSD17B1 (0.53) CYP2C19HIF1ASLC13A5LMNAKDM4E
SCHEMBL7607187 0.74 CYP2C19 (0.42) CYP2C19HIF1AKIF11KMT2AMEN1
Citric Acid SCHEMBL29022828 0.71 HIF1A (0.58) CYP2C19HIF1ASLC13A5LMNAKDM4E

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