SCHEMBL7896081

SCHEMBL7896081

CC(Cc1ccccc1)OC(=O)n1ccc(=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
HSD17B10 Q99714 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL7896186 0.79 TSHR (0.40) TSHRNPC1RAB9AHSD17B10NPSR1
SCHEMBL6826673 0.75 TSHR (0.53) TSHRNPC1RAB9AALPIPKM
SCHEMBL1838248 0.75 SLC6A2 (0.54) TSHRNPC1RAB9AALPIPKM
SCHEMBL9813241 0.74 ESR1 (0.44) HSD17B10KMT2AKDM4ECYP2C9
SCHEMBL3505882 0.73 ALDH1A1 (0.52) TSHRNPC1RAB9AALPIPKM
SCHEMBL5617244 0.73 ALDH1A1 (0.52) TSHRNPC1RAB9AALPIPKM
SCHEMBL9028692 0.73 ALDH1A1 (0.52) TSHRNPC1RAB9AALPIPKM
SCHEMBL9800577 0.73 HPGD (0.52) TSHRNPC1RAB9AHSD17B10NPSR1
SCHEMBL9506391 0.72 CTSK (0.55) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL1811694 0.72 SLC6A2 (0.50) TSHRNPC1RAB9AALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed