SCHEMBL31336614

SCHEMBL31336614

O=C(O)c1ccc(C(F)(F)F)c(-c2ccccc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.55
HNF4A P41235 3/20 0.50
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 3/20 0.42
ACMSD Q8TDX5 2/20 0.42
LDHA P00338 1/20 0.42
ALB P02768 1/20 0.41
PTPN1 P18031 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
CLCN2 P51788 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
GRIK1 P39086 1/20 0.39
FTO Q9C0B1 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
SCHEMBL27599997 0.87 FABP4 (0.46) FABP4HNF4ANR1H2NR1H3ALDH1A1
SCHEMBL28065801 0.83 HNF4A (0.50) FABP4HNF4AAKR1C2AKR1C1ACMSD
SCHEMBL3824173 0.82 FABP4 (0.54) FABP4HNF4AACMSDNR1H2NR1H3
SCHEMBL6703940 0.79 FABP4 (0.70) FABP4HNF4ANR1H2NR1H3ALDH1A1
SCHEMBL9700677 0.78 SELL (0.54) LDHAALBSELLSELPCLCN2
SCHEMBL11026751 0.77 HNF4A (0.58) HNF4AAKR1C2AKR1C1ACMSDLDHA
SCHEMBL8001214 0.75 HNF4A (0.67) FABP4HNF4AAKR1C2AKR1C1ACMSD
SCHEMBL2320900 0.75 ALB (0.46) LDHAALBSELLSELPCLCN2
SCHEMBL22075506 0.75 SELL (0.45) LDHAALBSELLSELPCLCN2
SCHEMBL5314054 0.74 FABP4 (0.46) FABP4NR1H2NR1H3ALDH1A1HPGD

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-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed