SCHEMBL1021898

SCHEMBL1021898

CCCCC1=C(c2ccc(OC)c(F)c2)C(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
PTGS2 P35354 5/20 0.40
PTGS1 P23219 3/20 0.39
TDP2 O95551 1/20 0.39
CYP17A1 P05093 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1022415 0.88 CYP19A1 (0.45) KDM4EMAPK1
SCHEMBL1022350 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL1022426 0.82 HSD17B1 (0.47) MGLLPTGS2PTGS1CYP17A1KDM4E
SCHEMBL1021341 0.82 MGLL (0.47) MGLLPTGS2PTGS1CYP17A1ERN1
SCHEMBL1021340 0.82 MGLL (0.47) MGLLPTGS2PTGS1CYP17A1ERN1
SCHEMBL1021324 0.82 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL1021368 0.79 RARB (0.41) PTGS2PTGS1LMNAHPGD
SCHEMBL1022110 0.78 PTGS1 (0.46) PTGS2PTGS1HPGD
SCHEMBL1022157 0.77 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL1022920 0.77 BRD4 (0.42)

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-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed