SCHEMBL11062079

SCHEMBL11062079

CCCCC1CCC2CC(OC(=O)O)CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
MAPT P10636 1/20 0.39
TLR4 O00206 2/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.31
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11303285 1.00 NAAA (0.43) NAAAMAPTTLR4POLBHPGD
SCHEMBL11294835 0.95 NAAA (0.40) NAAAMAPTTLR4POLBHPGD
SCHEMBL11304906 0.94 NAAA (0.39) NAAAMAPTTLR4CYP1A2HTT
SCHEMBL11293072 0.91 TLR4 (0.38) NAAAMAPTTLR4LMNA
SCHEMBL11072609 0.88 NAAA (0.43) NAAAMAPTTLR4POLBHPGD
SCHEMBL11196185 0.86 NAAA (0.49) NAAAMAPTTLR4POLBHPGD
SCHEMBL10996045 0.86 NAAA (0.49) NAAAMAPTTLR4POLBHPGD
SCHEMBL9152080 0.81 NAAA (0.45) NAAAMAPTPOLBHPGDCYP1A2
SCHEMBL10381624 0.81 NAAA (0.45) NAAAMAPTPOLBHPGDCYP1A2
SCHEMBL11075598 0.81 NAAA (0.41) NAAAMAPTTLR4POLBHPGD

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-4438268-A ELECTROOPTICS VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKRONIK (DE) 1984-03-20 US disclosed