SCHEMBL12495481

SCHEMBL12495481

C[CH]c1ccc(F)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.53
BACE1 P56817 2/20 0.49
NFE2L2 Q16236 2/20 0.47
TUBB1 Q9H4B7 7/20 0.46
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.43
TYR P14679 1/20 0.43
CXCL12 P48061 1/20 0.40
TRPA1 O75762 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 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
SCHEMBL12035794 0.84 TYR (0.62) AMY1ABACE1NFE2L2TUBB1ACHE
SCHEMBL9135637 0.83 TUBB1 (0.65) NFE2L2TUBB1ALDH1A1MAPK1TSHR
SCHEMBL1687375 0.82 TRPA1 (0.61) AMY1ABACE1NFE2L2TUBB1ACHE
SCHEMBL16954907 0.82 AMY1A (0.51) AMY1ABACE1NFE2L2TUBB1ACHE
SCHEMBL22387 0.82 ALDH1A1 (0.68) AMY1ABACE1NFE2L2ALDH1A1MAPT
SCHEMBL721179 0.80 ALDH1A1 (0.65) NFE2L2TUBB1ALDH1A1MAPTMAPK1
SCHEMBL16046759 0.79 BACE1 (0.49) AMY1ABACE1NFE2L2TUBB1ACHE
SCHEMBL31128655 0.77 AMY1A (0.59) AMY1ABACE1ACHEALDH1A1MAPT
SCHEMBL29066079 0.77 TUBB1 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16047644 0.77 BACE1 (0.51) AMY1ABACE1NFE2L2TUBB1ACHE

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-2683697-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR Lupin Limited (IN) 2014-01-15 EP disclosed
WO-2012120476-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN LIMITED (IN) 2012-09-13 WO disclosed