SCHEMBL28566709

SCHEMBL28566709

O=C(O)c1cc(-c2ccccc2C(F)(F)F)c(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
KMO O15229 2/20 0.47
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
CFTR P13569 1/20 0.41
TAS2R14 Q9NYV8 3/20 0.40
PTPN1 P18031 1/20 0.40
GRIK1 P39086 1/20 0.40
DHODH Q02127 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FABP4 P15090 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL5851285 0.85 ALDH1A1 (0.54) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL28636304 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL344491 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL11226095 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL23908710 0.77 ALDH1A1 (0.47) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL29406898 0.77 HNF4A (0.49) ALDH1A1AKR1C3AKR1C2PTPN1MEN1
SCHEMBL30277122 0.77 HNF4A (0.49) ALDH1A1AKR1C3AKR1C2PTPN1MEN1
SCHEMBL28059882 0.76 ALDH1A1 (0.56) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL28808626 0.76 ACMSD (0.46) ALDH1A1HPGDKMOAKR1C3AKR1C2
SCHEMBL1635186 0.76 ASPH (0.46) ALDH1A1HPGDAKR1C3AKR1C2CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112708130-A Colorless transparent polyimide film and preparation method thereof 中国石油化工股份有限公司 2021-04-27 CN claimed
CN-112708130-A Colorless transparent polyimide film and preparation method thereof 中国石油化工股份有限公司 2021-04-27 CN disclosed