SCHEMBL6205138

SCHEMBL6205138

NCC(=O)OC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 2/20 0.39
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3549198 0.85 LMNA (0.49) LMNAGAACTNNB1WNT3AL3MBTL1
SCHEMBL1405144 0.84 LMNA (0.58) LMNAGAACTNNB1WNT3AL3MBTL1
SCHEMBL9768560 0.82 TSHR (0.47) LMNAL3MBTL1TDP1NPC1
SCHEMBL29381574 0.82 TSHR (0.47) LMNAL3MBTL1TDP1NPC1
SCHEMBL6675290 0.78 LMNA (0.51) LMNAGAACTNNB1WNT3AL3MBTL1
SCHEMBL8232789 0.78 CTNNB1 (0.57) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL10519876 0.77 LMNA (0.58) LMNAGAACTNNB1WNT3AL3MBTL1
SCHEMBL3430652 0.77 LMNA (0.50) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL6206850 0.76 LMNA (0.46) LMNAGAACTNNB1WNT3AL3MBTL1
Ammonia Solution, Strong SCHEMBL28847475 0.76 CTNNB1 (0.55) LMNAGAACTNNB1WNT3APTGS1

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-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed