SCHEMBL29611696

SCHEMBL29611696

CCCCC(C)CCCCCCCCCCOc1ccc(OCCCCCCCCCCC(C)CCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
SLC2A1 P11166 3/20 0.54
LTA4H P09960 5/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL29612130 1.00 NR5A1 (0.56) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL29611828 0.96 NR5A1 (0.61) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL29611836 0.96 NR5A1 (0.61) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL10522396 0.95 CYP2D6 (0.54) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL29611988 0.92 NR5A1 (0.52) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL17924265 0.92 NR5A1 (0.49) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL10525466 0.92 NR5A1 (0.72) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL10525866 0.92 NR5A1 (0.72) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL10624110 0.92 NR5A1 (0.49) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL28590811 0.91 LTA4H (0.59) NR5A1SLC2A1LTA4HTP53TSHR

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-113105570-B Liquid two-photon initiator and preparation method and application thereof 之江实验室 2022-05-03 CN disclosed