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SCHEMBL8727320

SCHEMBL8727320

C=Cc1ccc([C@H]2CC[C@H](c3ccc(COCCC)cc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.38
▸ SPHK2 Q9NRA0 7/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL8727324 1.00 SPHK1 (0.38) SPHK1SPHK2CHRNB2CHRNB4CHRNA3
SCHEMBL8730887 0.93 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8730879 0.93 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8728616 0.92 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8728612 0.92 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8730337 0.88 SPHK1 (0.36) SPHK1SPHK2SLC6A4ESR2
SCHEMBL8730330 0.88 SPHK1 (0.36) SPHK1SPHK2SLC6A4ESR2
SCHEMBL316823 0.86 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8732947 0.86 ALDH1A1 (0.39) SPHK1SPHK2
SCHEMBL8727854 0.86 SPHK1 (0.38) SPHK1SPHK2ESR2

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