SCHEMBL30185396

SCHEMBL30185396

CCCCOCCOC(=O)c1ccccc1N(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.60
TDP1 Q9NUW8 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CYP3A4 P08684 3/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 2/20 0.55
ALDH1A1 P00352 8/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA2 P00918 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
SCHEMBL1024829 1.00 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
Methacrylic Acid SCHEMBL32675622 0.92 TSHR (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL3415538 0.91 TSHR (0.73) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL3396026 0.87 TSHR (0.73) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL31096380 0.87 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL770016 0.87 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL809878 0.87 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29736979 0.87 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL9304560 0.86 ALDH1A1 (0.74) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL10883494 0.86 ALDH1A1 (0.74) TSHRTDP1L3MBTL1CYP3A4MAPK1

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
US-20230098571-A1 INK COMPOSITION AND ELECTRONIC DEVICE INCLUDING FILM FORMED USING THE INK COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-30 US disclosed
CN-112940432-B Polymerizable monomer for dental material, composition, adhesive dental material, and kit 三井化学株式会社 2022-12-30 CN disclosed