SCHEMBL13899201

SCHEMBL13899201

C=CC(=O)OCCNC(=O)NCCNC(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
TAAR1 Q96RJ0 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TGM2 P21980 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL16981272 0.95 THRB (0.59) THRBTAAR1NPC1GAARAB9A
SCHEMBL13899162 0.92 THRB (0.56) THRBTAAR1NPC1GAARAB9A
SCHEMBL13899155 0.90 THRB (0.57) THRBTAAR1NPC1GAARAB9A
SCHEMBL13899188 0.89 THRB (0.60) THRBTAAR1NPC1GAARAB9A
SCHEMBL13899156 0.88 THRB (0.55) THRBNPC1RAB9AHSD17B10TGM2
SCHEMBL17350645 0.87 THRB (0.50) THRBTAAR1NPC1GAARAB9A
SCHEMBL25825991 0.85 THRB (0.48) THRBTAAR1NPC1GAARAB9A
SCHEMBL10327018 0.84 THRB (0.42) THRBTAAR1NPC1GAARAB9A
SCHEMBL17350747 0.84 EPHX1 (0.52) THRB
SCHEMBL18352553 0.83 ZDHHC2 (0.48) TAAR1NPC1GAARAB9AFAAH

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-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed