SCHEMBL1021652

SCHEMBL1021652

CCCCCC1=C(c2cccc(F)c2)C(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.48
PTGS2 P35354 2/20 0.48
GCGR P47871 1/20 0.40
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MGLL Q99685 1/20 0.37
GRM2 Q14416 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ICMT O60725 3/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL1021894 0.86 PTGS1 (0.43) PTGS1PTGS2GHSR
SCHEMBL1020565 0.83 PTGS1 (0.44) PTGS1PTGS2GCGRGRM2GHSR
SCHEMBL1023950 0.83 PTPN1 (0.42) PTGS1PTGS2NR5A2NR5A1
SCHEMBL1021324 0.82 PTGS2 (0.48) PTGS1PTGS2GCGRGHSR
SCHEMBL1021653 0.81 KDM4E (0.37) TLR8
SCHEMBL1020191 0.81 MGLL (0.42) PTGS1PTGS2GCGRNR5A2NR5A1
SCHEMBL1020190 0.81 MGLL (0.42) PTGS1PTGS2GCGRNR5A2NR5A1
SCHEMBL1022577 0.80 ALDH1A1 (0.43) NPC1RAB9A
SCHEMBL1020035 0.80 ESR1 (0.40) PTGS2GCGRMGLLGRM2
SCHEMBL1022356 0.80 BRD4 (0.40) PTGS1PTGS2GRM2

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