SCHEMBL29153160

SCHEMBL29153160

C=C(C)C(=O)OCc1cc(OC)cc(-n2nc3ccc(F)cc3n2)c1O.O=C(O)C=CCc1ccccc1O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
PTGER1 P34995 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29823665 0.87 MAPT (0.32) L3MBTL1
SCHEMBL825195 0.87 MAPT (0.32) L3MBTL1
SCHEMBL29153159 0.84 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL1100484 0.81 NPC1 (0.38) TDP1L3MBTL1
SCHEMBL1101121 0.79 ALDH1A1 (0.36) L3MBTL1
SCHEMBL1100680 0.77 NPC1 (0.37) TDP1L3MBTL1
SCHEMBL1100373 0.76 MAPT (0.34)
SCHEMBL1098652 0.76 NPC1 (0.38) TDP1L3MBTL1
SCHEMBL825192 0.76 CSNK1D (0.36)
SCHEMBL29565119 0.76 CSNK1D (0.36)

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-117546077-A Contact lens and method for manufacturing the same 日油株式会社 2024-02-09 CN disclosed