SCHEMBL9766712

SCHEMBL9766712

CCCCCOc1ccc([C@H]2CC[C@H](CCc3ccc(F)nc3)CC2)cc1.CCCCOc1ccc([C@H]2CC[C@H](CCc3ccc(F)nc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.40
RAB9A P51151 3/20 0.40
S1PR3 Q99500 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36

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
SCHEMBL9158838 1.00 SPHK1 (0.40) SPHK1RAB9AS1PR3LMNAMAPT
SCHEMBL9158847 1.00 SPHK1 (0.40) SPHK1RAB9AS1PR3LMNAMAPT
SCHEMBL9159166 0.98 RAB9A (0.41) SPHK1RAB9AMAPTL3MBTL1CYP2C9
SCHEMBL9159174 0.98 RAB9A (0.41) SPHK1RAB9AMAPTL3MBTL1CYP2C9
SCHEMBL9875473 0.97 RAB9A (0.38) SPHK1RAB9AS1PR3LMNAMAPT
SCHEMBL9875481 0.97 RAB9A (0.38) SPHK1RAB9AS1PR3LMNAMAPT
SCHEMBL9160937 0.93 ACACB (0.38) RAB9ALMNAMAPTL3MBTL1CYP2C9
SCHEMBL9160931 0.93 ACACB (0.38) RAB9ALMNAMAPTL3MBTL1CYP2C9
SCHEMBL9158454 0.89 MAPT (0.38) RAB9ALMNAMAPTL3MBTL1CYP2C9
SCHEMBL9158447 0.89 MAPT (0.38) RAB9ALMNAMAPTL3MBTL1CYP2C9

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-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed