SCHEMBL14818320

SCHEMBL14818320

CC1(C)Cc2cc(N)cc(C(O)(O)O)c2O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
DHFR P00374 2/20 0.34
LMNA P02545 1/20 0.31
FFAR4 Q5NUL3 2/20 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
SCHEMBL14818397 0.74 DHFR (0.41) HTR2ADHFRLMNAFFAR4KMT2A
SCHEMBL28496894 0.72 KMT2A (0.39) HTR2ADHFRLMNAKMT2A
SCHEMBL28493074 0.70 DHFR (0.40) HTR2ADHFRLMNAKMT2A
SCHEMBL4049990 0.70 LMNA (0.45) LMNAKMT2A
SCHEMBL4753309 0.69 NPC1 (0.37) HTR2ADHFRLMNAFFAR4KMT2A
SCHEMBL4750906 0.68 HTR2A (0.40) HTR2ADHFRLMNAKMT2A
SCHEMBL4754289 0.68 FFAR4 (0.39) HTR2ADHFRLMNAFFAR4KMT2A
SCHEMBL9052736 0.68 FFAR4 (0.42) HTR2AFFAR4KMT2A
SCHEMBL28978441 0.67 DHFR (0.40) HTR2ADHFRLMNAKMT2A
SCHEMBL4753363 0.66 HTR2A (0.38) HTR2ADHFRLMNAKMT2A

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
EP-2367793-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX INC (US) 2013-03-27 EP disclosed