SCHEMBL30286353

SCHEMBL30286353

CCCCCCCCCCC(OOOO)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39
FDPS P14324 5/20 0.38
LMNA P02545 1/20 0.38
LAP3 P28838 1/20 0.36
CA2 P00918 1/20 0.36
GPR84 Q9NQS5 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR4 O95977 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
SCHEMBL7901136 0.86 LMNA (0.39) SMPD1FDPSLMNACA2GPR84
SCHEMBL11686625 0.86 LMNA (0.39) SMPD1FDPSLMNACA2GPR84
SCHEMBL28471373 0.83 OPRM1 (0.39) SMPD1FDPSLMNACA2GPR84
SCHEMBL31405411 0.82 LMNA (0.41) SMPD1FDPSLMNACA2GPR84
SCHEMBL29758202 0.79 SMPD1 (0.54) SMPD1FDPSLAP3S1PR2S1PR1
SCHEMBL8466665 0.78 CA2 (0.42) SMPD1CA2GPR84FFAR1ZDHHC7
SCHEMBL10485691 0.78 CA2 (0.42) SMPD1CA2GPR84FFAR1ZDHHC7
SCHEMBL2907191 0.77 LMNA (0.39) SMPD1FDPSLMNACA2GPR84
SCHEMBL29083534 0.77 LMNA (0.39) SMPD1FDPSLMNACA2GPR84
SCHEMBL1321198 0.77 LMNA (0.39) SMPD1FDPSLMNACA2GPR84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023032996-A1 COMPOUND AND LABELED BIOMATERIAL USING SAME 富士フイルム株式会社 2023-03-09 WO disclosed
WO-2023032995-A1 COMPOUND AND LABELED BIOMATERIAL USING SAME 富士フイルム株式会社 2023-03-09 WO disclosed