SCHEMBL8633599

SCHEMBL8633599

CCCCOC(=O)C(=C(C)C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 6/20 0.44
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL8633590 1.00 TSHR (0.46) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL26670106 0.86 TSHR (0.56) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL11860940 0.86 TSHR (0.56) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL319886 0.85 ALDH1A1 (0.51) TSHRALDH1A1KDM4ELMNAHPGD
SCHEMBL319889 0.85 ALDH1A1 (0.51) TSHRALDH1A1KDM4ELMNAHPGD
SCHEMBL13703243 0.82 TSHR (0.49) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL28294255 0.82 TSHR (0.51) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL4544966 0.82 TSHR (0.51) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL9815576 0.80 TSHR (0.53) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL9095382 0.77 CES2 (0.56) TSHRL3MBTL1TDP1ALDH1A1HSD17B10

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
JP-10055067-A None JP disclosed
JP-H1055067-A PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL AND IMAGE FORMING METHOD KONICA CORP 1998-02-24 JP disclosed