SCHEMBL7198538

SCHEMBL7198538

CCCCC(O)C(O)OC(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.43
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ABCB1 P08183 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
SCHEMBL16162196 0.88 SPHK1 (0.43) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL28364654 0.80 TSHR (0.50) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL8224489 0.76 SPHK1 (0.37) SPHK1MAPTTRPA1ALDH1A1ACHE
SCHEMBL26104369 0.75 SPHK1 (0.50) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL7708644 0.74 SPHK1 (0.52) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL600713 0.74 SPHK1 (0.52) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL27881377 0.74 SPHK1 (0.52) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL1234977 0.74 SPHK1 (0.52) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL30575899 0.74 SPHK1 (0.52) SPHK1CYP2D6CYP3A4GMNNLMNA
SCHEMBL22115923 0.73 SPHK1 (0.48) SPHK1CYP2D6CYP3A4GMNNLMNA

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
CN-113825804-A Polyamide resin composition 尤尼吉可株式会社 2021-12-21 CN disclosed
US-20030004244-A1 Thermoplastic molding compositions and polymer additives COLORMATRIX EUROPE LIMITED (GB) 2003-01-02 US disclosed