SCHEMBL27733776

SCHEMBL27733776

COC(=O)c1cccc(-c2ccccc2-n2cc(C(C)(C)O)nc2-c2ccccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.53
NR1H2 P55055 6/20 0.53
NR1H3 Q13133 6/20 0.53
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDK8 P49336 1/20 0.38
PDK2 Q15119 1/20 0.38
PTGS2 P35354 1/20 0.38
AXL P30530 1/20 0.38
SDHB P21912 1/20 0.37
KAT6A Q92794 1/20 0.37
MAPK14 Q16539 2/20 0.36
DHODH Q02127 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
SCN9A Q15858 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3576371 0.88 RXRA (0.69) RXRANR1H2NR1H3PDK2PTGS2
SCHEMBL27733833 0.81 RXRA (0.58) RXRANR1H2NR1H3PDK2PTGS2
SCHEMBL3580546 0.77 RXRA (0.73) RXRANR1H2NR1H3PTGS2
SCHEMBL7844717 0.75 KAT6A (0.53) NPC1RAB9APDK2AXLKAT6A
SCHEMBL27933864 0.75 RXRA (0.61) RXRANR1H2NR1H3PTGS2DHODH
SCHEMBL3584351 0.72 NR1H2 (0.81) RXRANR1H2NR1H3PTGS2
SCHEMBL3588428 0.72 NR1H2 (0.79) RXRANR1H2NR1H3PTGS2
SCHEMBL27915371 0.71 RXRA (0.67) RXRANR1H2NR1H3PTGS2
SCHEMBL15988378 0.71 RXRA (0.69) RXRANR1H2NR1H3PTGS2
SCHEMBL3576376 0.71 RXRA (0.67) RXRANR1H2NR1H3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101248049-B Imidazole based lxr modulators EXELIXIS INC 2013-08-28 CN disclosed
CN-101248049-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed