SCHEMBL29010053

SCHEMBL29010053

CCc1cccc(C(F)F)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.42
PTGS2 P35354 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
PLA2G2A P14555 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.35

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
SCHEMBL509798 0.82 AKR1B1 (0.54) AKR1B1PTGS2TDP1GABRA1GABRB2
SCHEMBL18301679 0.77 AKR1B1 (0.55) AKR1B1PTGS2TDP1DUSP3PTPN5
SCHEMBL29718755 0.77 AKR1B1 (0.55) AKR1B1PTGS2TDP1DUSP3PTPN5
SCHEMBL1634978 0.76 AKR1B1 (0.46) AKR1B1PTGS2TDP1DUSP3PTPN5
SCHEMBL2552936 0.75 PTGS2 (0.54) AKR1B1PTGS2TDP1GABRA1GABRB2
SCHEMBL29089726 0.75 CLCN2 (0.41) TDP1KDM4EGAAMAPTMEN1
SCHEMBL14660980 0.75 P2RX7 (0.46) AKR1B1PTGS2TDP1DUSP3PTPN5
SCHEMBL29009916 0.74 FFAR1 (0.36) AKR1B1PTGS2TSHR
SCHEMBL8189339 0.74 AKR1B1 (0.46) AKR1B1PTGS2TDP1GABRA1GABRB2
SCHEMBL29101379 0.74 AKR1B1 (0.46) AKR1B1PTGS2TDP1GABRA1GABRB2

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-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed