SCHEMBL2452091

SCHEMBL2452091

CC(C)(N)c1ccc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SCN9A Q15858 5/20 0.41
KCNH2 Q12809 3/20 0.41
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL2488367 0.88 RAB9A (0.56) RAB9AMAPTNPC1ALDH1A1HPGD
SCHEMBL2448045 0.87 KIF11 (0.50) L3MBTL1MAPTALDH1A1LMNALTA4H
SCHEMBL2776241 0.87 PDE4A (0.41) RAB9AL3MBTL1THRBMAPTNPC1
SCHEMBL2451413 0.87 PDE4A (0.41) RAB9AL3MBTL1THRBMAPTNPC1
SCHEMBL2449524 0.83 SOS1 (0.44) RAB9AL3MBTL1THRBMAPTNPC1
SCHEMBL2452036 0.83 RAB9A (0.36) RAB9AL3MBTL1THRBMAPTNPC1
SCHEMBL2457235 0.82 NPC1 (0.42) RAB9AL3MBTL1MAPTNPC1ALDH1A1
SCHEMBL2449570 0.81 MAPT (0.45) RAB9AL3MBTL1MAPTNPC1ALDH1A1
SCHEMBL2452741 0.79 NPC1 (0.36) RAB9AMAPTNPC1ALDH1A1HPGD
SCHEMBL2449797 0.78 AR (0.42) L3MBTL1MAPTALDH1A1SCN9AKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP claimed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO claimed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO disclosed