SCHEMBL28059882

SCHEMBL28059882

O=C(O)c1c(C(=O)O)c(-c2ccccc2C(F)(F)F)c(C(=O)O)c(C(=O)O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
KMO O15229 2/20 0.50
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
POLB P06746 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FABP4 P15090 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDK2 Q15119 1/20 0.41
HSD11B1 P28845 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC9A1 P19634 1/20 0.40

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
SCHEMBL29087116 0.88 ALDH1A1 (0.49) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL11226095 0.83 ALDH1A1 (0.48) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL11230568 0.83 ALDH1A1 (0.54) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL23908702 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL28636304 0.80 ALDH1A1 (0.51) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL344492 0.78 ALDH1A1 (0.49) ALDH1A1HPGDKMOFFAR4FABP4
SCHEMBL6956083 0.78 MEN1 (0.50) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL504216 0.77 CA12 (0.46) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL344491 0.77 ALDH1A1 (0.56) ALDH1A1HPGDKMOLMNAGAA
SCHEMBL28566709 0.76 ALDH1A1 (0.48) ALDH1A1HPGDKMOLMNAGAA

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
CN-105461923-B A kind of Kapton and preparation method thereof 南京理工大学 2018-01-05 CN claimed
CN-105461923-A Polyimide film and preparation method thereof UNIV NANJING SCIENCE & TECH 2016-04-06 CN claimed
CN-105461923-B A kind of Kapton and preparation method thereof 南京理工大学 2018-01-05 CN disclosed
CN-105461923-A Polyimide film and preparation method thereof UNIV NANJING SCIENCE & TECH 2016-04-06 CN disclosed