SCHEMBL30428720

SCHEMBL30428720

Cc1c(CC(=O)O)cc(I)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.42
RXRB P28702 7/20 0.42
RXRG P48443 7/20 0.42
AGBL2 Q5U5Z8 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 3/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
ALOX15 P16050 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL29009958 1.00 RXRA (0.42) RXRARXRBRXRGAGBL2PTGS1
SCHEMBL6096516 0.82 RXRA (0.52) RXRARXRBRXRGAGBL2PTGS1
SCHEMBL14994051 0.77 RXRA (0.46) RXRARXRBRXRGPTGS2
SCHEMBL22821086 0.75 NOTUM (0.42) RXRARXRBHPGD
SCHEMBL24573787 0.74 TMPRSS4 (0.33) TSHR
SCHEMBL30428413 0.73 RXRA (0.47) RXRARXRBRXRGAGBL2PTGS2
SCHEMBL30120786 0.73 PTGS2 (0.52) RXRARXRBRXRGPTGS2
SCHEMBL29009816 0.73 RXRA (0.47) RXRARXRBRXRGAGBL2PTGS2
SCHEMBL5539801 0.70 SRC (0.54) RXRARXRBRXRGAGBL2PTGS2
SCHEMBL2139752 0.70 SRC (0.50) RXRARXRBRXRGAGBL2PTGS1

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