SCHEMBL1023968

SCHEMBL1023968

CCCCCCCCCc1ccc(C2=C(CC(C)C)CCC2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
GCGR P47871 2/20 0.32
CNR2 P34972 3/20 0.31
HTR2A P28223 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL1022770 0.84 MEN1 (0.35) RARBRARARARGTSHRMEN1
SCHEMBL1022768 0.84 MEN1 (0.35) RARBRARARARGTSHRMEN1
SCHEMBL1021420 0.80 PTGS2 (0.50) MEN1MAPTKMT2APTGS1PTGS2
SCHEMBL1021324 0.78 PTGS2 (0.48) RARBRARARARGPTGS1PTGS2
SCHEMBL1023688 0.75 PTGS2 (0.51) RARBRARARARGMEN1HTT
SCHEMBL1022350 0.74 PTGS2 (0.49) RARBRARARARGPTGS1PTGS2
SCHEMBL1020604 0.73 PTGS1 (0.47) HTTPTGS1PTGS2HTR2A
SCHEMBL1023216 0.72 CYP1A2 (0.43) TSHRKMT2A
SCHEMBL27687397 0.71 MEN1 (0.32) RARBRARARARGTSHRMEN1
SCHEMBL1022426 0.71 HSD17B1 (0.47) RARBRARARARGPTGS1PTGS2

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