SCHEMBL6637643

SCHEMBL6637643

O=C(O)/C=C/c1ccccc1OCF

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 4/20 0.66
▸ PTGER4 P35408 3/20 0.66
▸ PTGER2 P43116 3/20 0.66
▸ PTGER1 P34995 2/20 0.66
▸ HTT P42858 1/20 0.61
▸ GAA P10253 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.50
▸ NFE2L2 Q16236 2/20 0.49
▸ TFEB P19484 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ BCHE P06276 1/20 0.46

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
SCHEMBL528919 0.85 PTGER4 (0.68) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL11685100 0.83 PTGER1 (0.66) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL1536282 0.83 PTGER1 (0.66) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL1536281 0.83 PTGER1 (0.66) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL11685091 0.83 PTGER1 (0.66) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL4064471 0.83 PTGER1 (0.61) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL8323200 0.82 PTGER4 (0.94) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL1356220 0.82 PTGER1 (0.64) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL14843147 0.82 PTGER1 (0.64) PTGER3PTGER4PTGER2PTGER1HTT
SCHEMBL11685411 0.82 PTGER4 (0.64) PTGER3PTGER4PTGER2PTGER1HTT

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
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 — — EP disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 — — WO disclosed
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