SCHEMBL11205910

SCHEMBL11205910

CCCCCCCCCCCCCCCC(O)NC(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.48
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL11859135 0.98 SPHK1 (0.45) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL284117 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL16618484 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL9801091 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL9801350 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL36470 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL16618515 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL16618557 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL9801711 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7
SCHEMBL9801407 0.88 GPR84 (0.48) SPHK1GPR84FFAR1LMNAZDHHC7

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
EP-0075065-A2 Process for the preparation of quaternary ammonium compounds Henkel Kommanditgesellschaft auf Aktien (DE) 1983-03-30 EP disclosed