SCHEMBL8730480

SCHEMBL8730480

C=CCCCOCc1ccc(-c2ccc(C3CCC(C=C)CC3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
UGCG Q16739 9/20 0.32
GBA2 Q9HCG7 9/20 0.32
GBA1 P04062 8/20 0.32
LCT P09848 2/20 0.32
SI P14410 2/20 0.32
MGAM O43451 1/20 0.32
HDAC2 Q92769 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
TEAD3 Q99594 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
ESR1 P03372 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8730472 1.00 NAAA (0.34) NAAAUGCGGBA2GBA1LCT
SCHEMBL8726703 0.96 HDAC2 (0.33) HDAC2FFAR4TEAD3SPHK1ESR1
SCHEMBL8726705 0.96 HDAC2 (0.33) HDAC2FFAR4TEAD3SPHK1ESR1
SCHEMBL8730889 0.93 NAAA (0.32) NAAAUGCGGBA2GBA1LCT
SCHEMBL8727307 0.93 NAAA (0.32) NAAAUGCGGBA2GBA1LCT
SCHEMBL8727311 0.93 NAAA (0.32) NAAAUGCGGBA2GBA1LCT
SCHEMBL8730939 0.92 HDAC2 (0.32) HDAC2TEAD3SPHK1ESR1
SCHEMBL8730931 0.92 HDAC2 (0.32) HDAC2TEAD3SPHK1ESR1
SCHEMBL8730945 0.92 HDAC2 (0.32) HDAC2TEAD3SPHK1ESR1
SCHEMBL8731291 0.90 ESR2 (0.38) HDAC2ESR1

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