SCHEMBL6220439

SCHEMBL6220439

Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.48
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 4/20 0.47
GLA P06280 3/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 5/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PDE9A O76083 1/20 0.43
PDE1C Q14123 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL2263602 0.95 RXRA (0.52) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL2263428 0.91 KDM4E (0.54) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL14944176 0.90 RXRA (0.56) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL2265833 0.90 KDM4E (0.55) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL2263112 0.89 RXRA (0.55) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL2261589 0.88 RXRA (0.45) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL14944225 0.88 RXRA (0.53) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL2264949 0.86 RXRA (0.47) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL14944222 0.86 RXRA (0.51) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL14944180 0.85 ALDH1A1 (0.44) RXRANR1H2NR1H3ALDH1A1HPGD

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-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO disclosed