SCHEMBL8489378

SCHEMBL8489378

CCC(O)CCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 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
SCHEMBL26629649 1.00 HRH3 (0.48) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL14878580 0.88 MEN1 (0.48) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL15314029 0.85 MEN1 (0.44) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL7388734 0.79 HRH3 (0.53) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL15187297 0.78 MEN1 (0.43) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL15187284 0.78 MEN1 (0.43) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL21348734 0.78 HRH3 (0.50) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL3141698 0.77 ALDH1A1 (0.43) HRH3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7769335 0.76 HRH3 (0.52) HRH3MEN1KMT2ACYP1A2MAPK1
SCHEMBL15187285 0.76 MEN1 (0.40) HRH3MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
EP-2951188-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS Evonik Degussa GmbH (DE) 2015-12-09 EP disclosed
WO-2014118038-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK INDUSTRIES AG (DE) 2014-08-07 WO disclosed
WO-2014118038-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK INDUSTRIES AG (DE) 2014-08-07 WO disclosed
WO-1999015521-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-04-01 WO disclosed