SCHEMBL26646147

SCHEMBL26646147

CCOCc1ccccc1-c1cccc(CC(=O)OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PTGER4 P35408 6/20 0.44
PTGER3 P43115 6/20 0.44
PTGER1 P34995 5/20 0.44
PTGER2 P43116 5/20 0.44
ENPP2 Q13822 1/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
PPID Q08752 1/20 0.41
CFD P00746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4556815 0.80 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL2592720 0.80 HTR7 (0.56) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL23719393 0.78 ENPP2 (0.39) SMN1; SMN2PTGER4PTGER3PTGER1PTGER2
SCHEMBL31225595 0.77 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL1274076 0.77 AOC3 (0.44) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL31225506 0.76 MMP3 (0.48) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL68412 0.76 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL2390130 0.75 CYP4F2 (0.51) L3MBTL1SMN1; SMN2PKMPPARGALDH1A1
SCHEMBL137139 0.74 PPID (0.40) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL905142 0.73 CTBP2 (0.49) L3MBTL1SMN1; SMN2NPC1PKMNFKB1

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
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO disclosed