SCHEMBL8108726

SCHEMBL8108726

CCCCCCC(O)C(O)C(C)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.61
CYP2D6 P10635 2/20 0.52
LMNA P02545 2/20 0.52
GMNN O75496 1/20 0.52
POLB P06746 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CETP P11597 1/20 0.52
HTT P42858 1/20 0.52
UBE2N P61088 1/20 0.52
TRPV1 Q8NER1 1/20 0.46
TRPA1 O75762 1/20 0.46
GPR84 Q9NQS5 6/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL16078651 1.00 SPHK1 (0.61) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL16078645 1.00 SPHK1 (0.61) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL16078685 1.00 SPHK1 (0.61) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL16078693 1.00 SPHK1 (0.61) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL16078657 1.00 SPHK1 (0.61) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL3148122 0.91 SPHK1 (0.56) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL1767673 0.90 SPHK1 (0.48) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL3344513 0.87 SPHK1 (0.62) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL7756046 0.87 SPHK1 (0.62) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL10607850 0.87 SPHK1 (0.62) SPHK1CYP2D6LMNAGMNNPOLB

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
EP-1045856-A1 NOVEL AROMATIC AMIDES, PREPARATION METHOD AND APPLICATION AS MEDICINES HOECHST MARION ROUSSEL (FR) 2000-10-25 EP disclosed
WO-1999035155-A1 NOVEL AROMATIC AMIDES, PREPARATION METHOD AND APPLICATION AS MEDICINES HOECHST MARION ROUSSEL (FR) 1999-07-15 WO disclosed