SCHEMBL6474411

SCHEMBL6474411

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
KIF11 P52732 3/20 0.52
DHODH Q02127 1/20 0.51
MAP4K4 O95819 1/20 0.49
SLC13A5 Q86YT5 1/20 0.49
PTPN1 P18031 2/20 0.49
PTPN5 P54829 2/20 0.47
BACE1 P56817 1/20 0.47
S1PR5 Q9H228 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MGLL Q99685 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL5791295 0.94 KIF11 (0.55) APPRXRARXRBKIF11DHODH
SCHEMBL6472732 0.84 KIF11 (0.51) APPRXRARXRBKIF11DHODH
SCHEMBL1626915 0.83 APP (0.55) APPMGLL
SCHEMBL16087802 0.80 KIF11 (0.65) RXRARXRBKIF11DHODHPTPN1
SCHEMBL4597367 0.79 APP (0.78) APPMAP4K4BACE1
SCHEMBL16068255 0.79 KIF11 (0.67) KIF11DHODHPTPN1
SCHEMBL1626471 0.79 APP (0.62) APPPTPN1
SCHEMBL3726479 0.78 KIF11 (0.55) RXRARXRBKIF11DHODHPTPN1
SCHEMBL5790943 0.78 KIF11 (0.55) RXRARXRBKIF11SLC13A5BACE1
SCHEMBL894000 0.77 SLC13A5 (0.52) RXRARXRBKIF11DHODHSLC13A5

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
WO-2005110963-A1 (BIPHENYL-3-YL)-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND THEIR USE IN THERAPY CELLZOME AG (DE) 2005-11-24 WO disclosed