SCHEMBL27697446

SCHEMBL27697446

CCN(CC)c1cc(CC(=O)O)ccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
FFAR1 O14842 2/20 0.48
NR3C1 P04150 1/20 0.48
PSEN1 P49768 5/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.47
TBXA2R P21731 2/20 0.47
PTGDR Q13258 2/20 0.47
ALOX5 P09917 4/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGES O14684 2/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44

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
SCHEMBL27697439 0.88 THRB (0.51) THRBFFAR1NR3C1PSEN1PSEN2
SCHEMBL27697443 0.79 THRB (0.51) THRBFFAR1NR3C1PSEN1PSEN2
SCHEMBL8329343 0.77 LTA4H (0.60) THRBFFAR1NR3C1PSEN1PSEN2
SCHEMBL4597814 0.73 PSEN1 (0.58) THRBFFAR1PSEN1PSEN2APH1B
SCHEMBL14631662 0.73 FFAR1 (0.45) THRBFFAR1NR3C1PTGDR2TBXA2R
SCHEMBL4509606 0.70 MAPT (0.50) THRBFFAR1NR3C1PTGDR2PTGDR
SCHEMBL13742610 0.70 FFAR1 (0.57) FFAR1PTGDR2PPARGPPARDSMN1; SMN2
SCHEMBL267205 0.70 RXRA (0.68) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL27717577 0.70 KDM4E (0.45) THRBFFAR1PSEN1PSEN2APH1B
SCHEMBL1008610 0.70 THRB (0.49) THRBFFAR1NR3C1PSEN1PSEN2

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
CN-101142185-A Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2008-03-12 CN disclosed