SCHEMBL28959752

SCHEMBL28959752

CC(C)(C)c1cccc(CCC(=O)O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
PTGER1 P34995 3/20 0.43
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
NR1H4 Q96RI1 2/20 0.43
PARP1 P09874 1/20 0.41
KEAP1 Q14145 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CA2 P00918 1/20 0.38
FFAR1 O14842 2/20 0.38
EPHX2 P34913 1/20 0.37
ELANE P08246 1/20 0.37
RBP4 P02753 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL7882529 0.85 NR1H4 (0.43) NPSR1NR1H4KEAP1RXRARXRB
SCHEMBL15093756 0.84 NPSR1 (0.51) NPSR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL11960674 0.84 IAPP (0.54) NPSR1CA2
SCHEMBL28557126 0.83 NPSR1 (0.50) NPSR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL30501159 0.83 CA2 (0.52) NPSR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4975584 0.83 CA2 (0.52) NPSR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL28079937 0.83 AKR1B1 (0.46) NR1H4RXRARXRBCA2
SCHEMBL28556049 0.83 TDP1 (0.41) CA2
SCHEMBL11960480 0.83 CA2 (0.39) NPSR1CA2
SCHEMBL7352792 0.82 NPSR1 (0.44) NPSR1PTGER1PTGER4PTGER3PTGER2

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-112449649-B Adhesive and adhesive sheet 东洋油墨SC控股株式会社 2022-10-21 CN disclosed