SCHEMBL8726728

SCHEMBL8726728

C=CCOCc1ccc(-c2ccc(-c3ccc([C@H]4CC[C@H](C=C)CC4)cc3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
GBA1 P04062 2/20 0.35
LCT P09848 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
APP P05067 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK2 P24941 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
CHKA P35790 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
GYS1 P13807 1/20 0.30

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
SCHEMBL8731133 0.88 L3MBTL1 (0.38) FFAR4GBA1LCTUGCGGBA2
SCHEMBL8732000 0.86 GBA1 (0.40) FFAR4GBA1LCTUGCGGBA2
SCHEMBL8730663 0.86 NPC1 (0.32) FFAR4CYP3A4CYP2C9
SCHEMBL8730485 0.86 NPC1 (0.32) FFAR4CYP3A4CYP2C9
SCHEMBL8730670 0.86 NPC1 (0.32) FFAR4CYP3A4CYP2C9
SCHEMBL8732288 0.85 CYP3A4 (0.33) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL8732293 0.85 CYP3A4 (0.33) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL8725259 0.83 CYP3A4 (0.34) FFAR4GBA1LCTUGCGGBA2
SCHEMBL7033562 0.83 GBA1 (0.34) FFAR4GBA1LCTUGCGGBA2
SCHEMBL8728184 0.82 CYP3A4 (0.36) FFAR4CYP3A4CYP2C9APPCYP2D6

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed