SCHEMBL8725401

SCHEMBL8725401

C=CCCCC1CCC(c2ccc(CCCCc3ccc(COCCCCC)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
SPHK2 Q9NRA0 7/20 0.43
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.35

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
SCHEMBL8725396 1.00 SPHK1 (0.48) SPHK1SPHK2HRH3L3MBTL1TDP1
SCHEMBL8730558 0.97 SPHK1 (0.47) SPHK1SPHK2HRH3L3MBTL1TDP1
SCHEMBL8730549 0.97 SPHK1 (0.47) SPHK1SPHK2HRH3L3MBTL1TDP1
SCHEMBL8730563 0.96 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8730557 0.96 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8731052 0.92 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL8731045 0.92 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL8730290 0.92 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8730295 0.92 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8732256 0.90 SPHK1 (0.41) SPHK1SPHK2

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