SCHEMBL4057586

SCHEMBL4057586

CCCCCCC(CO)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44
GMNN O75496 1/20 0.44
POLB P06746 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CETP P11597 1/20 0.44
HTT P42858 1/20 0.44
UBE2N P61088 1/20 0.44
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40

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
SCHEMBL11024389 0.91 LMNA (0.56) LMNAMAPTMAPK1CYP2D6SPHK1
SCHEMBL4076477 0.91 LMNA (0.56) LMNAMAPTMAPK1CYP2D6SPHK1
SCHEMBL27964844 0.91 ALDH1A1 (0.44) LMNAMAPTMAPK1CYP2D6SPHK1
SCHEMBL19464195 0.85 LMNA (0.48) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL457573 0.85 LMNA (0.48) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL7108549 0.82 CNR1 (0.62) MAPTALDH1A1
SCHEMBL9063918 0.82 OPRM1 (0.42) LMNASPHK1OPRM1
SCHEMBL25953784 0.82 OPRM1 (0.42) LMNASPHK1OPRM1
SCHEMBL8468112 0.81 ALDH1A1 (0.48) LMNAMAPTMAPK1CYP2D6SPHK1
SCHEMBL4230501 0.81 TSHR (0.33) LMNAMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968916-B1 Process for the separation of optical isomers of the corey lactone CHINOIN GYOGYSZER ES VEGYESZET (HU) 2012-07-11 EP claimed
EP-1968916-B1 Process for the separation of optical isomers of the corey lactone CHINOIN GYOGYSZER ES VEGYESZET (HU) 2012-07-11 EP disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed