SCHEMBL7510079

SCHEMBL7510079

Cc1nn(C)c(CC(=O)O)c1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.43
AGBL2 Q5U5Z8 1/20 0.39
RXRA P19793 3/20 0.38
RXRG P48443 3/20 0.38
RXRB P28702 2/20 0.38
PKM P14618 1/20 0.34
IKBKE Q14164 1/20 0.34
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL6608035 0.89 PTGDR2 (0.39) PTGDR2AGBL2RXRARXRGRXRB
SCHEMBL6603401 0.85 XPO1 (0.37) PTGDR2IKBKEPOLBGPBAR1
SCHEMBL6605724 0.77 MEN1 (0.39) PKMIKBKE
SCHEMBL6604749 0.74 PTGDR2 (0.37) PTGDR2
SCHEMBL7510983 0.71 AGBL2 (0.38) PTGDR2AGBL2RXRARXRGRXRB
SCHEMBL4352938 0.70 ALDH1A1 (0.39) POLB
SCHEMBL6604766 0.65 PTGDR2 (0.48) PTGDR2AGBL2FFAR1
SCHEMBL9430791 0.65 APP (0.36) PKMFFAR1
SCHEMBL8854253 0.64 L3MBTL1 (0.38)
SCHEMBL4360389 0.64 PTGDR2 (0.38) PTGDR2

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-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 EP disclosed