SCHEMBL9493036

SCHEMBL9493036

CCCCC(O)CCC(O)CCCCC(O)C(C)OCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
NFKB1 P19838 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 5/20 0.34
MAPT P10636 2/20 0.34
CYP2D6 P10635 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CETP P11597 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
SCHEMBL622449 0.91 TDP1 (0.42) SPHK1TDP1HSD17B10MAPTCYP2D6
SCHEMBL1122050 0.87 SPHK1 (0.52) SPHK1TDP1GPR84MAPTCYP2D6
SCHEMBL620027 0.84 TDP1 (0.50) SPHK1TDP1HSD17B10MAPTCYP2D6
SCHEMBL6437780 0.79 TDP1 (0.45) SPHK1TDP1HSD17B10MAPTLMNA
SCHEMBL8718578 0.78 TRPV1 (0.35) SPHK1TDP1HSD17B10
SCHEMBL15369202 0.76 USP2 (0.51) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL4142740 0.76 TDP1 (0.34) TDP1HSD17B10
SCHEMBL21925309 0.74 SPHK1 (0.42) SPHK1HSD17B10MAPTCYP2D6GMNN
SCHEMBL29964875 0.73 TDP1 (0.40) SPHK1TDP1HSD17B10MAPTLMNA
SCHEMBL1156854 0.73 TDP1 (0.53) TDP1HSD17B10MAPTLMNA

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
US-5256329-A Containing demulsifier ALLIEDSIGNAL INC. (US) 1993-10-26 US disclosed