SCHEMBL5301347

SCHEMBL5301347

CC(C)=CCOC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 6/20 0.55
HPGD P15428 4/20 0.55
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46

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
SCHEMBL624385 0.82 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL3748244 0.81 ESR1 (0.59) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10424971 0.81 TRPV1 (0.57) ALDH1A1MAPTTSHRTRPV1MMP1
SCHEMBL2833266 0.80 TRPV1 (0.56) ALDH1A1MAPTKDM4ETRPV1LMNA
SCHEMBL5925543 0.80 LMNA (0.61) ALDH1A1MAPTNPC1RAB9AGAA
Benzoic Acid 3-Methyl-2-Butenyl Ester SCHEMBL873002 0.80 TRPV1 (0.55) ALDH1A1NPC1RAB9ATSHRMAPK1
SCHEMBL31375087 0.79 ALDH1A1 (0.54) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL1506126 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL15425 0.78 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL5190217 0.78 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4ENPC1

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-2007017348-A2 PHOTOPOLYMERISABLE SYSTEMS CONTAINING RADIATION CURABLE, LOW-EXTRACTABLE AND LOW-VOLATILE COINITIATORS LAMBERTI SPA (IT) 2007-02-15 WO disclosed
WO-2007017348-A2 PHOTOPOLYMERISABLE SYSTEMS CONTAINING RADIATION CURABLE, LOW-EXTRACTABLE AND LOW-VOLATILE COINITIATORS LAMBERTI SPA (IT) 2007-02-15 WO disclosed