SCHEMBL9744615

SCHEMBL9744615

CCCCCCCOc1ccc(-n2nc3ccccc3n2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.50
GPBAR1 Q8TDU6 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
LTA4H P09960 2/20 0.44
CNR2 P34972 2/20 0.44
PTPN11 Q06124 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
FGFR1 P11362 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDK2 Q15119 1/20 0.41
PLA2G4B P0C869 2/20 0.41

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
SCHEMBL45837 1.00 NR5A1 (0.50) NR5A1GPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL5445426 1.00 NR5A1 (0.50) NR5A1GPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL13370102 1.00 NR5A1 (0.50) NR5A1GPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL29463600 0.96 GPBAR1 (0.46) NR5A1GPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL7141357 0.96 GPBAR1 (0.46) NR5A1GPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL8854056 0.93 NPC1 (0.44) NR5A1GPBAR1CYSLTR2CYSLTR1NPC1
SCHEMBL13370146 0.92 NR5A1 (0.50) NR5A1LTA4HCNR2TSHR
SCHEMBL6474039 0.92 NPC1 (0.45) GPBAR1CYSLTR2CYSLTR1NPC1RAB9A
SCHEMBL10942650 0.91 GPBAR1 (0.43) NR5A1GPBAR1CYSLTR2CYSLTR1LTA4H
SCHEMBL21145629 0.91 NPC1 (0.46) GPBAR1CYSLTR2CYSLTR1LTA4HNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4059768-A None JP disclosed
JP-H0459768-A ULTRAVIOLET LIGHT ABSORBER KEMIPURO KASEI KK 1992-02-26 JP disclosed