SCHEMBL10795199

SCHEMBL10795199

CCCCCCCCN(CCCCCCCC)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
MAPT P10636 4/20 0.67
MAPK1 P28482 3/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HPGD P15428 1/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
GAA P10253 3/20 0.56
RECQL P46063 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL9477127 0.97 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL9416938 0.97 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL5573089 0.94 ALDH1A1 (0.71) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL10794315 0.90 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL10794633 0.89 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL9416962 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL5573048 0.87 ALDH1A1 (0.75) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL9314218 0.86 DRD2 (0.51) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL9314523 0.86 DRD2 (0.51) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL9315385 0.86 DRD2 (0.51) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480133-A Chemical process ETHYL CORPORATION (US) 1984-10-30 US claimed
US-4456770-A Chemical process for preparing 1,3 diketones ETHYL CORPORTATION (US) 1984-06-26 US claimed
US-4456771-A Chemical process for preparing 1,3-diketones ETHYL CORPORATION (US) 1984-06-26 US claimed
EP-0163634-A4 PROCESS FOR PREPARING (3',5'-DIHYDROCARBYL-4'HYDROXYBENZYL)-1,2-DIKETONES. ETHYL CORP (US) 1987-08-20 EP disclosed
EP-0163634-A1 PROCESS FOR PREPARING (3',5'-DIHYDROCARBYL-4'HYDROXYBENZYL)-1,2-DIKETONES ETHYL CORPORATION (US) 1985-12-11 EP disclosed
EP-0161252-A1 PROCESS FOR PREPARING 3,5-DIHYDROCARBYL-4-HYDROXYBENZYLMALONIC ACID ESTERS ETHYL CORPORATION (US) 1985-11-21 EP disclosed
WO-1985002179-A1 PROCESS FOR PREPARING (3',5'-DIHYDROCARBYL-4'HYDROXYBENZYL)-1,2-DIKETONES ETHYL CORPORATION (US) 1985-05-23 WO disclosed
WO-1985002183-A1 PROCESS FOR PREPARING 3,5-DIHYDROCARBYL-4-HYDROXYBENZYLMALONIC ACID ESTERS ETHYL CORPORATION (US) 1985-05-23 WO disclosed
US-4480133-A Chemical process ETHYL CORPORATION (US) 1984-10-30 US disclosed
US-4456770-A Chemical process for preparing 1,3 diketones ETHYL CORPORTATION (US) 1984-06-26 US disclosed
US-4456771-A Chemical process for preparing 1,3-diketones ETHYL CORPORATION (US) 1984-06-26 US disclosed
EP-0105772-A2 Substituted benzyl diketones and process therefor ETHYL CORPORATION (US) 1984-04-18 EP disclosed
EP-0103529-A1 Novel substituted benzylated malonic acid esters and process therefor ETHYL CORPORATION (US) 1984-03-21 EP disclosed