SCHEMBL5795055

SCHEMBL5795055

CCCCCCCCCCc1ccc(CCNC2CCC(C(=O)O)(C(=O)O)C2)c(F)c1F.CCCCCCCCCCc1ccc(CCNC2CCC(C(=O)O)(C(=O)OCC)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.37
CCR2 P41597 2/20 0.34
SPHK2 Q9NRA0 2/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
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

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
SCHEMBL4287098 0.95 CNR2 (0.35)
SCHEMBL4296068 0.91 SPHK1 (0.43) SPHK1SPHK2EPHX1EPHX2HAO1
SCHEMBL4288412 0.89 CNR2 (0.36) SPHK1
SCHEMBL4288421 0.89 CNR2 (0.36) SPHK1
SCHEMBL4288628 0.88 CNR2 (0.37) SPHK1CCR2EPHX1EPHX2MAPT
SCHEMBL4300197 0.88 CNR2 (0.37) SPHK1CCR2EPHX1EPHX2MAPT
SCHEMBL4294299 0.88 CNR2 (0.35)
SCHEMBL4298741 0.87 CNR2 (0.35)
SCHEMBL5796212 0.86 CNR2 (0.35)
SCHEMBL4287270 0.86 CNR2 (0.38) SPHK1

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