SCHEMBL23449236

SCHEMBL23449236

CCCCC(NC=O)C(=O)NCc1ccc(CCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 6/20 0.55
▸ S1PR1 P21453 4/20 0.42
▸ S1PR3 Q99500 4/20 0.42
▸ S1PR2 O95136 3/20 0.42
▸ S1PR4 O95977 2/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ CYP4A11 Q02928 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
SCHEMBL23449212 0.89 SPHK1 (0.46) SPHK1CA1CA2TLR2
SCHEMBL23448587 0.84 SPHK1 (0.44) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL20806152 0.74 DPP7 (0.42) CA1CA2
SCHEMBL22526947 0.74 SPHK1 (0.40) SPHK1CA1CA2
SCHEMBL13494816 0.72 CNR1 (0.48) TLR2
SCHEMBL1312381 0.71 SPHK1 (1.00) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL1312379 0.71 SPHK1 (1.00) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL8205849 0.71 SMO (0.44) —
SCHEMBL13350786 0.69 SLC15A1 (0.43) CA1CA2
SCHEMBL23449167 0.69 NPSR1 (0.40) TLR2

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-2021106988-A1 G9a INHIBITOR 杏林製薬株式会社 2021-06-03 — — WO disclosed
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