SCHEMBL1679283

SCHEMBL1679283

CC(C(=O)O)c1cccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.51
NR1H3 Q13133 5/20 0.51
ADAMTS4 O75173 2/20 0.43
MMP13 P45452 2/20 0.43
AKR1C3 P42330 5/20 0.43
AKR1C2 P52895 5/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
FFAR1 O14842 5/20 0.42
RXRA P19793 2/20 0.41
PTGER4 P35408 2/20 0.40
PTGS2 P35354 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL1678766 0.86 AKR1C3 (0.50) NR1H2NR1H3ADAMTS4MMP13AKR1C3
SCHEMBL1679159 0.85 AKR1C3 (0.49) NR1H2NR1H3ADAMTS4MMP13AKR1C3
SCHEMBL4942716 0.82 NR1H2 (0.70) NR1H2NR1H3FFAR1RXRAPTGER4
SCHEMBL1678648 0.79 NR1H2 (0.42) NR1H2NR1H3ADAMTS4MMP13AKR1C3
SCHEMBL1678906 0.76 ADAMTS4 (0.41) NR1H2NR1H3ADAMTS4MMP13AKR1C3
SCHEMBL4944371 0.74 NR1H2 (0.53) NR1H2NR1H3FFAR1RXRA
SCHEMBL1678343 0.74 NR1H2 (0.72) NR1H2NR1H3ADAMTS4MMP13AKR1C3
SCHEMBL4938650 0.73 NR1H2 (0.58) NR1H2NR1H3FFAR1RXRA
SCHEMBL31261551 0.72 PTGS2 (0.64) AKR1C3AKR1C2FFAR1RXRAPTGS2
SCHEMBL1679556 0.72 NR1H2 (0.58) NR1H2NR1H3ADAMTS4MMP13FFAR1

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
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed