SCHEMBL7620034

SCHEMBL7620034

CCCCCCCC(NC(C)=O)c1ccc(CCC(CCC)(COC(=O)CC(O)C(N)(CCC)CCc2ccc(C(CCCCCCC)NC(C)=O)cc2)NC(C)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.34
S1PR4 O95977 8/20 0.34
S1PR3 Q99500 8/20 0.34
S1PR5 Q9H228 6/20 0.34
S1PR2 O95136 5/20 0.34
TNNC1 P63316 5/20 0.32
SGPL1 O95470 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
SPHK2 Q9NRA0 3/20 0.32
SPHK1 Q9NYA1 3/20 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
SCHEMBL7621724 0.85 ACACB (0.35) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL7620027 0.82 S1PR1 (0.44) S1PR1S1PR4S1PR3S1PR5S1PR2
Hydrochloric Acid SCHEMBL7615564 0.79 CYP2D6 (0.41)
SCHEMBL7615631 0.78 S1PR1 (0.40) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL7620008 0.74 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL7620681 0.73 S1PR1 (0.39) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL7614927 0.72 S1PR1 (0.46) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL8498832 0.68 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL4917300 0.68 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL8529514 0.68 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5S1PR2

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
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed