SCHEMBL4058309

SCHEMBL4058309

CCCCCCC[C@@H](O)OC(C)C

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 4/20 0.43
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 2/20 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
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
SMPD1 P17405 2/20 0.39

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
SCHEMBL10276905 1.00 SPHK1 (0.48) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL10181292 1.00 SPHK1 (0.48) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL344908 1.00 SPHK1 (0.48) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL27841408 1.00 SPHK1 (0.48) SPHK1GPR84FFAR1LMNAOPRM1
Propylene Glycol SCHEMBL7581348 0.92 LMNA (0.47) SPHK1GPR84FFAR1LMNACYP2D6
Glycerin SCHEMBL8149754 0.90 USP2 (0.46) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL6668019 0.89 FFAR1 (0.45) FFAR1LMNAGMNNPOLBBLM
SCHEMBL3259630 0.88 GPR84 (0.54) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL2678966 0.88 GPR84 (0.54) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL2978279 0.88 GPR84 (0.54) SPHK1GPR84FFAR1LMNACYP2D6

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
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed