SCHEMBL13019596

SCHEMBL13019596

CCCCCCOc1ccc(C(c2ccc(C)cc2)c2ccc(OCCCCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
SLC2A1 P11166 2/20 0.54
LTA4H P09960 3/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
PLA2G4B P0C869 1/20 0.49
POLB P06746 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL13172437 0.93 NR5A1 (0.63) NR5A1SLC2A1LTA4HLMNATP53
SCHEMBL12122194 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL22207285 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL7761726 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL14583368 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL22207172 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL22207529 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL21167283 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL22207170 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR
SCHEMBL13991627 0.89 NR5A1 (0.68) NR5A1LTA4HLMNATP53TSHR

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
US-20100330496-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING-REPRODUCTION METHOD, AND SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING MATERIAL FOR USE THEREIN FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed