SCHEMBL1832344

SCHEMBL1832344

C[C@@](O)(I)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.45
HSD11B1 P28845 1/20 0.44
ACHE P22303 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 3/20 0.42
KCNN4 O15554 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1835661 1.00 RAB9A (0.45) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL3239844 0.80 KIF11 (0.44) ALDH1A1TSHR
SCHEMBL19928063 0.79 ACHE (0.41) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL11024025 0.79 KMT2A (0.56) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL8071364 0.79 HSD11B1 (0.52) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL1835626 0.79 RAB9A (0.48) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL20143378 0.79 ACHE (0.41) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL26687541 0.77 KCNN4 (0.48) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL27650039 0.77 HSD11B1 (0.50) RAB9AUSP2HSD11B1ACHEKMT2A
SCHEMBL1704452 0.75 KCNN4 (0.41) RAB9AUSP2HSD11B1ACHEKMT2A

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-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed