SCHEMBL27717577

SCHEMBL27717577

CCn1c2cc(CC(=O)O)ccc2c2c(Oc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
THRB P10828 3/20 0.43
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FFAR1 O14842 2/20 0.39
THRA P10827 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL27697446 0.70 THRB (0.49) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL8329343 0.69 LTA4H (0.60) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL27697443 0.69 THRB (0.51) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL27697439 0.69 THRB (0.51) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL1407164 0.68 PPARG (0.42) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL28394422 0.67 CXCL8 (0.57) THRBFFAR1PPARGPPARDPPARA
SCHEMBL30740359 0.66 SCN9A (0.41) KDM4EALDH1A1HPGDHSD17B10PPARG
SCHEMBL21225736 0.66 SCN9A (0.41) KDM4EALDH1A1HPGDHSD17B10PPARG
SCHEMBL11077637 0.66 THRB (0.60) THRBFFAR1THRASMN1; SMN2PPARG
SCHEMBL4597814 0.65 PSEN1 (0.58) THRBPSEN1PSEN2APH1BNCSTN

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