SCHEMBL20000945

SCHEMBL20000945

C/C=C(/c1ccc(OC(F)(F)F)cc1)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
EPHX2 P34913 4/20 0.39
MAPT P10636 1/20 0.39
GRIN2B Q13224 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL2092955 0.76 TRPV1 (0.45) TRPV1HRH3EPHX2MAPTGRIN2B
SCHEMBL20000941 0.74 GRIN2B (0.46) EPHX2MAPTGRIN2BHDAC3HDAC1
SCHEMBL18154009 0.74 TRPV1 (0.44) TRPV1EPHX2MAPTGRIN2BHDAC3
SCHEMBL18154010 0.74 TRPV1 (0.44) TRPV1EPHX2MAPTGRIN2BHDAC3
SCHEMBL20821059 0.72 TRPV1 (0.47) TRPV1ALDH1A1HRH3EPHX2HDAC3
SCHEMBL18291828 0.72 PDE2A (0.54) PDE2AALDH1A1EPHX2MAPTL3MBTL1
SCHEMBL14603436 0.72 PDE2A (0.46) PDE2AALDH1A1EPHX2MAPTL3MBTL1
SCHEMBL1046494 0.72 PDE2A (0.54) PDE2AALDH1A1EPHX2MAPTL3MBTL1
SCHEMBL2088584 0.71 TRPV1 (0.45) TRPV1ALDH1A1EPHX2MAPTGRIN2B
SCHEMBL10935565 0.71 TRPV1 (0.49) TRPV1ALDH1A1HRH3EPHX2HDAC3

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-2291358-B1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2018-03-28 EP disclosed