SCHEMBL8727307

SCHEMBL8727307

C=CCCOCc1ccc(-c2ccc([C@H]3CC[C@H](C=C)CC3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
UGCG Q16739 3/20 0.30
GBA2 Q9HCG7 3/20 0.30
GBA1 P04062 2/20 0.30
LCT P09848 2/20 0.30
SI P14410 2/20 0.30
MGAM O43451 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
SCHEMBL8727311 1.00 NAAA (0.32) NAAANPC1RAB9AUGCGGBA2
SCHEMBL8730889 1.00 NAAA (0.32) NAAANPC1RAB9AUGCGGBA2
SCHEMBL8732728 0.96 ESR2 (0.32)
SCHEMBL8732725 0.96 ESR2 (0.32)
SCHEMBL8730472 0.93 NAAA (0.34) NAAANPC1RAB9AUGCGGBA2
SCHEMBL8730480 0.93 NAAA (0.34) NAAANPC1RAB9AUGCGGBA2
SCHEMBL8732574 0.92
SCHEMBL8732565 0.92
SCHEMBL8732570 0.92
SCHEMBL8725493 0.90 ESR2 (0.38)

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