SCHEMBL4736087

SCHEMBL4736087

[CH2]c1ccc(OC(=O)NC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.41
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL13900227 0.85 SMN1; SMN2 (0.54) ELANELMNAMAPTHTTALDH1A1
SCHEMBL25688979 0.85 LMNA (0.53) ELANEACHEBCHELMNAMAPT
SCHEMBL25407106 0.85 ELANE (0.51) ELANEACHEBCHELMNAMAPT
SCHEMBL3813706 0.83 MAPT (0.51) ELANEACHEBCHELMNAMAPT
SCHEMBL27670799 0.83 ALDH1A1 (0.48) ELANEACHEBCHELMNAMAPT
SCHEMBL29185989 0.83 ELANE (0.51) ELANEMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL27495399 0.83 ELANE (0.40) ELANEACHEBCHELMNAMAPT
SCHEMBL27514766 0.83 KMT2A (0.51) ELANEACHEBCHELMNAMAPT
SCHEMBL1893211 0.82 ALDH1A1 (0.51) ELANELMNAMAPTHTTALDH1A1
SCHEMBL27623698 0.82 ACHE (0.38) ELANEACHEBCHELMNAMAPT

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-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed