SCHEMBL2448045

SCHEMBL2448045

CC(C)(N)c1ccc2cc(Oc3cccc(C(F)(F)F)c3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LTA4H P09960 1/20 0.44
ADORA2A P29274 1/20 0.43
F10 P00742 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TTBK1 Q5TCY1 2/20 0.42
TTBK2 Q6IQ55 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
CHEK2 O96017 1/20 0.41
TEAD1 P28347 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 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
SCHEMBL2451540 0.89 KIF11 (0.46) KIF11L3MBTL1MAPTNPSR1LTA4H
SCHEMBL2778490 0.89 KIF11 (0.46) KIF11L3MBTL1MAPTNPSR1LTA4H
SCHEMBL2452091 0.87 RAB9A (0.43) L3MBTL1MAPTLTA4HALDH1A1KDM4E
SCHEMBL2487238 0.83 KIF11 (0.46) KIF11L3MBTL1MAPTNPSR1LTA4H
SCHEMBL2449797 0.82 AR (0.42) L3MBTL1MAPTF10ALDH1A1TTBK1
SCHEMBL12731717 0.81 LTA4H (0.51) KIF11L3MBTL1MAPTNPSR1LTA4H
SCHEMBL27579381 0.80 LTA4H (0.59) KIF11L3MBTL1MAPTNPSR1LTA4H
SCHEMBL9798371 0.80 LTA4H (0.54) KIF11L3MBTL1MAPTNPSR1LTA4H
SCHEMBL2448201 0.79 PTGS1 (0.39) MAPTALDH1A1KDM4ECYP2C9POLB
SCHEMBL2488367 0.79 RAB9A (0.56) MAPTNPSR1ALDH1A1KDM4ECYP1A2

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 2 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