SCHEMBL4945231

SCHEMBL4945231

CC(=O)c1ccc2c(c1)Cc1cc(O)ccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 1.00
RAB9A P51151 2/20 0.82
NPC1 O15118 1/20 0.82
MAPT P10636 1/20 0.82
ESR2 Q92731 3/20 0.60
ESR1 P03372 2/20 0.60
PGR P06401 1/20 0.50
SRD5A2 P31213 1/20 0.49
KCNH2 Q12809 1/20 0.45
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD2 P14416 2/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL3399487 0.91 RAB9A (1.00) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL30692090 0.91 RAB9A (1.00) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL11841857 0.85 MAPT (0.89) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL11839424 0.84 RAB9A (0.79) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL26575463 0.84 MAPT (0.85) HSD17B1RAB9ANPC1MAPTPGR
SCHEMBL26575457 0.82 RAB9A (0.82) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL407340 0.82 MAPT (0.82) HSD17B1RAB9ANPC1MAPTPGR
SCHEMBL5048102 0.81 RAB9A (0.79) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL26185760 0.81 RAB9A (0.79) HSD17B1RAB9ANPC1MAPTESR2
SCHEMBL15202656 0.81 MAPT (0.80) HSD17B1RAB9ANPC1MAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381350-B2 Fluorene derivatives and polymers thereof CHISSO CORPORATION (JP) 2008-06-03 US disclosed
US-20060006364-A1 Fluorene derivatives and polymers thereof CHISSO CORPORATION AND CHISSO PETROCHEMICAL CORPORATION 2006-01-12 US disclosed
US-6824709-B2 A LIQUID CRYSTAL COMPOUND OR LIQUID CRYSTAL POLYMERS, CONTAINING ACRYLATE OR METHACRYLATE FLUORENE GROUP; LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2004-11-30 US disclosed
US-20030203128-A1 Fluorene derivatives and their polymers JNC PETROCHEMICAL CORPORATION (JP) 2003-10-30 US disclosed