SCHEMBL8227290

SCHEMBL8227290

CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CCCCCCCCOc1ccc(-n2nc3ccccc3n2)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
CNR2 P34972 3/20 0.35
PDK2 Q15119 2/20 0.35
PTPN11 Q06124 1/20 0.34
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.33
NR5A2 O00482 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL23645028 0.89 NR5A1 (0.39) NR5A1TSHRCNR2PDK2LTA4H
SCHEMBL23645024 0.89 NR5A1 (0.39) NR5A1TSHRCNR2PDK2LTA4H
SCHEMBL23645026 0.89 NR5A1 (0.39) NR5A1TSHRCNR2PDK2LTA4H
SCHEMBL5319983 0.87 NR5A1 (0.35) NR5A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL45837 0.86 NR5A1 (0.50) NR5A1TSHRGPBAR1CYSLTR2CYSLTR1
SCHEMBL9744615 0.86 NR5A1 (0.50) NR5A1TSHRGPBAR1CYSLTR2CYSLTR1
SCHEMBL13370102 0.86 NR5A1 (0.50) NR5A1TSHRGPBAR1CYSLTR2CYSLTR1
SCHEMBL5445426 0.86 NR5A1 (0.50) NR5A1TSHRGPBAR1CYSLTR2CYSLTR1
SCHEMBL10879715 0.85 NPC1 (0.39) NR5A1TSHRGPBAR1CYSLTR2CYSLTR1
SCHEMBL21192205 0.85 NPC1 (0.39) GPBAR1CYSLTR2CYSLTR1NPC1RAB9A

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
EP-2518535-A1 FILM MIRROR AND PROCESS FOR PRODUCTION THEREOF, AND REFLECTION DEVICE FOR SOLAR POWER GENERATION PURPOSES Konica Minolta Opto, Inc. (JP) 2012-10-31 EP disclosed
US-6071643-A JAR WITH SEALED RESIN FOR BATTERIES WITH OLEFIN AND STYRENE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-06-06 US disclosed