SCHEMBL28636307

SCHEMBL28636307

O=C(O)c1c(-c2ccccc2)ccc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
FOLH1 Q04609 1/20 0.41
KMO O15229 2/20 0.41
FABP4 P15090 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLK1 P53350 1/20 0.40
LDHA P00338 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
DAO P14920 1/20 0.38
BACE1 P56817 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
SCHEMBL29702020 0.86 ALDH1A1 (0.43) ALDH1A1HPGDAKR1C3AKR1C2FOLH1
SCHEMBL344492 0.86 ALDH1A1 (0.49) ALDH1A1HPGDFOLH1KMOFABP4
SCHEMBL29188682 0.85 ALDH1A1 (0.42) ALDH1A1HPGDAKR1C3AKR1C2FOLH1
SCHEMBL6677822 0.85 TAS2R14 (0.44) ALDH1A1HPGDAKR1C3AKR1C2FOLH1
SCHEMBL16394743 0.85 ALDH1A1 (0.42) ALDH1A1HPGDAKR1C3AKR1C2KMO
SCHEMBL27630251 0.83 ALDH1A1 (0.40) ALDH1A1HPGDAKR1C3AKR1C2KMO
SCHEMBL23521242 0.82 FOLH1 (0.53) ALDH1A1HPGDAKR1C3AKR1C2FOLH1
SCHEMBL6636838 0.81 ALDH1A1 (0.39) ALDH1A1HPGDAKR1C3AKR1C2FOLH1
SCHEMBL4854759 0.79 AR (0.45) ALDH1A1HPGDAKR1C3AKR1C2KMO
SCHEMBL4858143 0.79 PTGDR2 (0.37) ALDH1A1HPGDAKR1C3AKR1C2FOLH1

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
CN-113527101-A Novel compound, polymer and method for producing same, photosensitive resin composition, method for forming pattern, cured film, and electronic component 信越化学工业株式会社 2021-10-22 CN disclosed