SCHEMBL5795054

SCHEMBL5795054

CCCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)O)C2)c(F)c1F.CCCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)OCC)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR4 O95977 2/20 0.32
S1PR5 Q9H228 2/20 0.32
RARB P10826 2/20 0.32
SPHK2 Q9NRA0 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
CA12 O43570 2/20 0.32

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
SCHEMBL4287094 0.95 POLB (0.32) THRATHRBPOLBPKMLMNA
SCHEMBL4296545 0.90 SPHK1 (0.40) SPHK1THRATHRBPOLBPKM
SCHEMBL4296065 0.90 SPHK1 (0.40) SPHK1THRATHRBPOLBPKM
SCHEMBL4288416 0.89 DRD4 (0.33) POLBPKMLMNAMAPTMEN1
SCHEMBL4288406 0.89 DRD4 (0.33) POLBPKMLMNAMAPTMEN1
SCHEMBL4288626 0.89 SPHK1 (0.33) SPHK1THRATHRBMAPTMEN1
SCHEMBL4300194 0.89 SPHK1 (0.33) SPHK1THRATHRBMAPTMEN1
SCHEMBL4298739 0.88 TSHR (0.33) MAPTMEN1KMT2AS1PR1
SCHEMBL5796210 0.87 TSHR (0.33) MAPTMEN1KMT2AS1PR1
SCHEMBL4287267 0.86 CNR2 (0.34) POLBMAPTMEN1KMT2A

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-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO claimed