SCHEMBL6536469

SCHEMBL6536469

CC(=O)Oc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
NCEH1 Q6PIU2 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP2 O95551 1/20 0.41
TTR P02766 1/20 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
SCHEMBL6536539 0.90 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17070937 0.84 METAP1 (0.53) METAP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6536307 0.83 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6536297 0.81 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10443829 0.79 SRD5A1 (0.59) METAP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4989115 0.77 NCEH1 (0.41) MAPTSMN1; SMN2ALDH1A1NCEH1POLB
SCHEMBL4610370 0.76 NCEH1 (0.67) MAPTNPC1RAB9ASMN1; SMN2CA2
SCHEMBL29624638 0.76 NCEH1 (0.67) MAPTNPC1RAB9ASMN1; SMN2CA2
SCHEMBL12821529 0.76 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Sulfuric Acid SCHEMBL19149045 0.76 METAP1 (0.56) METAP1MAPTNPC1RAB9ASRD5A1

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 3 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
US-4545921-A Liquid crystals having a type A smectic phase THOMSON-CSF (FR) 1985-10-08 US disclosed