SCHEMBL8200077

SCHEMBL8200077

CC(C)C1=C(Cl)C(Cl)=C(c2ccc(F)c(F)c2)C[CH]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PTGS1 P23219 3/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PGR P06401 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL8203967 0.78 CYP2D6 (0.35) PTGS2
SCHEMBL8192460 0.75 PTGS2 (0.40) PTGS2PTGS1TRPV1
SCHEMBL8206064 0.74 ALKBH3 (0.36) PTGS2PTGS1
SCHEMBL8200749 0.74 ALDH1A1 (0.34)
SCHEMBL8201217 0.72 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8204972 0.71 ALDH1A1 (0.34) PTGS2TRPV1
SCHEMBL12570860 0.65 AKR1C3 (0.45) AKR1C3AKR1C2PGR
SCHEMBL8205670 0.65 PTGS2 (0.34) PTGS2AKR1C3AKR1C2PTGS1PGR
SCHEMBL13377328 0.64 PGR (0.41) PTGS2AKR1C3AKR1C2ALOX5APFEN1
SCHEMBL8206097 0.64 CYP2D6 (0.43)

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
US-6140344-A FOR TREATING PATHOLOGICAL CONDITIONS SUCH AS ASTHMA, RHINITIS, ECZEMA AND PARASITIC INFECTIONS FEATURING TISSUE EOSINOPHILIA SYNTEX (U.S.A.) INC. (US) 2000-10-31 US disclosed