SCHEMBL5299649

SCHEMBL5299649

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
MAPT P10636 7/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 5/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
GAA P10253 3/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.45
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2708103 0.88 TSHR (0.52) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL1506126 0.85 ALDH1A1 (0.65) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL9181209 0.84 RAB9A (0.63) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL8757056 0.84 RAB9A (0.52) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL44949 0.83 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL17231745 0.82 ESR1 (0.64) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL16231260 0.82 ALDH1A1 (0.61) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL12998144 0.80 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL12380037 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL5491979 0.80 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4ERAB9A

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