SCHEMBL5598133

SCHEMBL5598133

Cc1ccc(Cn2c(-c3ccc(Oc4ccc(OCC(=O)O)cc4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.59
NR1H2 P55055 3/20 0.59
NR1H3 Q13133 3/20 0.59
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.38
EGFR P00533 1/20 0.37
GLA P06280 2/20 0.36
AR P10275 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PPARD Q03181 4/20 0.35
FFAR1 O14842 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL4897271 0.97 RXRA (0.54) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL5597903 0.94 RXRA (0.59) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2266726 0.90 NR1H2 (0.65) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2387622 0.90 RXRA (0.61) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2262290 0.90 NR1H2 (0.62) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL4908276 0.90 RXRA (0.53) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2263400 0.89 NR1H2 (0.69) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2264983 0.89 NR1H2 (0.61) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2388661 0.89 RXRA (0.56) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL4899558 0.88 RXRA (0.59) RXRANR1H2NR1H3MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed