SCHEMBL9526008

SCHEMBL9526008

CN(C)/C=C/C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
RAB9A P51151 5/20 0.64
LMNA P02545 5/20 0.64
HPGD P15428 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
RECQL P46063 2/20 0.64
ALOX12 P18054 1/20 0.64
ALDH1A1 P00352 10/20 0.60
HTT P42858 4/20 0.59
NPC1 O15118 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
HSP90AA1 P07900 1/20 0.55
HIF1A Q16665 1/20 0.54
GAA P10253 3/20 0.54

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
SCHEMBL9526011 1.00 MAPT (0.64) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL23251385 0.87 MAPT (0.81) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL11076540 0.85 ALDH1A1 (0.66) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL325285 0.84 ALDH1A1 (0.68) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL325284 0.84 ALDH1A1 (0.68) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL7364598 0.79 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL801273 0.79 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL1186589 0.79 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL1186588 0.79 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2
SCHEMBL12914243 0.79 MAPT (0.70) MAPTRAB9ALMNAHPGDCYP1A2

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-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 EP disclosed