SCHEMBL6536414

SCHEMBL6536414

CC(=O)c1ccc2c(c1)C(C)c1cc(C(C)=O)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
S100A4 P26447 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
HSD17B1 P14061 2/20 0.44
CYP2A6 P11509 1/20 0.41
PKM P14618 1/20 0.40
PDK2 Q15119 1/20 0.39
HPGD P15428 4/20 0.39
PRKCI P41743 1/20 0.39

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
SCHEMBL10965346 0.91 HTR7 (0.62) MAPTRAB9ANPC1HTR7HTR2B
SCHEMBL15180320 0.85 CHRNA1 (0.51) MAPTRAB9ANPC1S100A4CHRNA1
SCHEMBL13563804 0.85 CHRNA1 (0.51) MAPTRAB9ANPC1S100A4CHRNA1
SCHEMBL19412996 0.83 HTR7 (0.50) MAPTRAB9ANPC1HTR7HTR2B
SCHEMBL28485704 0.77 MAPT (0.46) MAPTRAB9ANPC1S100A4CHRNA1
SCHEMBL28653494 0.77 MAPT (0.42) MAPTRAB9ANPC1HTR7HTR2B
SCHEMBL7825562 0.76 HTR7 (0.62) HTR7HTR2BALDH1A1KMT2ALMNA
SCHEMBL30571871 0.76 HTR7 (0.62) HTR7HTR2BALDH1A1KMT2ALMNA
SCHEMBL8033807 0.75 S100A4 (0.73) MAPTRAB9ANPC1S100A4HSD17B1
SCHEMBL23254178 0.74 CYP2A6 (0.50) MAPTRAB9ANPC1S100A4CHRNA1

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
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