SCHEMBL8908646

SCHEMBL8908646

CCCCNc1ccc(OC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HSP90AA1 P07900 1/20 0.51
LMNA P02545 3/20 0.49
SCN5A Q14524 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49
DRD4 P21917 1/20 0.49
ACHE P22303 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK1 P28482 1/20 0.49
NTSR1 P30989 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL4257353 0.88 MAPT (0.59) GAAMAPTALDH1A1HSP90AA1LMNA
SCHEMBL15613886 0.84 GAA (0.53) GAAMAPTALDH1A1HSP90AA1LMNA
SCHEMBL13725386 0.84 LMNA (0.47) LMNASCN5ACYP1A2MAOACNR1
SCHEMBL15114278 0.82 MAPT (0.58) GAAMAPTALDH1A1HSP90AA1LMNA
SCHEMBL11239830 0.81 MGLL (0.49) CNR1FAAHMGLL
SCHEMBL11232544 0.81 MGLL (0.49) CNR1FAAHMGLL
SCHEMBL11225778 0.81 MGLL (0.49) CNR1FAAHMGLL
SCHEMBL13725627 0.80 HTT (0.50) LMNASCN5ACYP1A2MAOACNR1
SCHEMBL3411340 0.79 NPC1 (0.58) GAAMAPTALDH1A1HSP90AA1RAB9A
SCHEMBL10499702 0.79 GAA (0.50) GAAMAPTALDH1A1HSP90AA1LMNA

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
WO-1997046695-A1 PROCESS FOR PREPARING CYCLIC KETONES FIRMENICH S.A. (CH) 1997-12-11 WO disclosed
US-5684202-A AMINE ACCELERATORS AND TERMINATED EPOXY RESINS OR POLYEPOXIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed