SCHEMBL27697443

SCHEMBL27697443

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.51
FFAR1 O14842 4/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
PPARD Q03181 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 5/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 5/20 0.46
THRA P10827 3/20 0.45
NR3C1 P04150 1/20 0.45
GAA P10253 1/20 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
SCHEMBL27697437 0.87 THRB (0.53) THRBFFAR1RXRARXRBRXRG
SCHEMBL4597814 0.82 PSEN1 (0.58) THRBFFAR1PSEN1PSEN2APH1B
SCHEMBL27697439 0.81 THRB (0.51) THRBFFAR1PSEN1PSEN2APH1B
SCHEMBL27697446 0.79 THRB (0.49) THRBFFAR1PSEN1PSEN2APH1B
SCHEMBL8329343 0.78 LTA4H (0.60) THRBFFAR1PSEN1PSEN2APH1B
SCHEMBL2984377 0.77 NR1H4 (0.45) PPARD
SCHEMBL11080030 0.76 GAA (0.64) THRBSMN1; SMN2NR3C1GAA
SCHEMBL12618448 0.74 HTR2A (0.50) FFAR1PPARD
SCHEMBL5018905 0.73 L3MBTL1 (0.64) FFAR1
SCHEMBL4509606 0.72 MAPT (0.50) THRBFFAR1SMN1; SMN2RXRARXRB

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