SCHEMBL18608209

SCHEMBL18608209

CC(C)COc1ccc(CC(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRB3 P13945 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A4 P31645 1/20 0.44

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
SCHEMBL13155583 0.86 ACACB (0.53) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL123415 0.81 MAPT (0.55) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL8048422 0.80 MAPT (0.53) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL24451691 0.80 ACACB (0.46) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL15114294 0.79 LMNA (0.57) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL31545989 0.78 SLC6A4 (0.59) LMNASLC6A4
SCHEMBL7477540 0.78 NPC1 (0.54) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL4527180 0.78 MAPT (0.50) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL17484657 0.78 ACACB (0.53) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL8047274 0.77 ACACB (0.52) ACACBMAPTMEN1ALOX12KMT2A

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-3344603-B1 A PRODUCTION METHOD OF 1-(4-FLUOROBENZYL)-3-(4-ISOBUTOXYBENZYL)-1-(1-METHYLPIPERIDIN- 4 YL)UREA AND ITS DEUTERATED ANALOGS NOT CONTAINING DIMERIC IMPURITIES ZENTIVA KS (CZ) 2020-09-30 EP disclosed
WO-2017036432-A1 A PRODUCTION METHOD OF 1-(4-FLUOROBENZYL)-3-(4-ISOBUTOXYBENZYL)-1-(1-METHYLPIPERIDIN- 4— YL)UREA AND ITS DEUTERATED ANALOGS NOT CONTAINING DIMERIC IMPURITIES ZENTIVA, K.S. (CZ) 2017-03-09 WO disclosed