SCHEMBL3903708

SCHEMBL3903708

COC(C)CCCOc1ccc([C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
PAX8 Q06710 4/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3903700 1.00 GAA (0.35) GAALMNAMAPTUSP2GLA
SCHEMBL3910570 0.86 PAX8 (0.41) GAALMNAPAX8ADRB2ADRB1
SCHEMBL3913543 0.86 PAX8 (0.41) GAALMNAPAX8ADRB2ADRB1
SCHEMBL3908167 0.76 REN (0.37) MAPTKMT2ATSHR
SCHEMBL3908950 0.76 RORC (0.32) KMT2A
SCHEMBL2683687 0.73 CTSG (0.37) LMNAGLAALDH1A1PTGDR2MEN1
SCHEMBL5278230 0.73 CTSG (0.37) LMNAGLAALDH1A1PTGDR2MEN1
SCHEMBL2683217 0.73 CTSG (0.37) LMNAGLAALDH1A1PTGDR2MEN1
SCHEMBL5382859 0.69 DRD2 (0.39) GAALMNAMAPTALDH1A1PAX8
SCHEMBL2683351 0.69 DRD2 (0.39) GAALMNAMAPTALDH1A1PAX8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed