SCHEMBL5820739

SCHEMBL5820739

C=CC(F)C(CC(=O)O)(C(=O)O)C(F)C=C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ACLY P53396 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CPT2 P23786 1/20 0.32
MEN1 O00255 1/20 0.32
NFKB1 P19838 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TET2 Q6N021 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL2585317 0.77 ACLY (0.38) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL1643768 0.66 CYP2C19 (0.46) ALDH1A1ACLYCYP2D6TSHRCYP2C19
SCHEMBL4050187 0.66
Bicarbonate SCHEMBL17581397 0.66 LMNA (0.32)
SCHEMBL3993633 0.64 ACLY (0.47) ALDH1A1ACLYBLMCPT2
SCHEMBL1049551 0.64 CYP2C19 (0.44) ALDH1A1ACLYCYP2D6TSHRCYP2C19
Boric Acid SCHEMBL23068711 0.64
SCHEMBL11798809 0.62 CYP2C19 (0.42) ALDH1A1ACLYCYP2D6TSHRCYP2C19
Bicarbonate SCHEMBL20598988 0.62
SCHEMBL11111132 0.62 ACLY (0.40) ALDH1A1ACLYCYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677989-A1 RECORDING MEDIUM Fuji Photo Film B.V. (NL) 2006-07-12 EP disclosed
WO-2006011798-A1 INJ JET RECORDING MEDIUM FUJI PHOTO FILM B.V. (NL) 2006-02-02 WO disclosed
WO-2005032832-A1 RECORDING MEDIUM FUJI PHOTO FILM B.V. (NL) 2005-04-14 WO disclosed
WO-2005032834-A1 RECORDING MEDIUM FUJI PHOTO FILM B.V. (NL) 2005-04-14 WO disclosed