SCHEMBL29763577

SCHEMBL29763577

CC(C)(OC(N)=O)c1ccccc1C(C)(C)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP2C19 P33261 2/20 0.36
RBP4 P02753 2/20 0.36
HIF1A Q16665 1/20 0.36
ALOX15 P16050 1/20 0.35
KCNN4 O15554 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 2/20 0.34
POLB P06746 2/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7191113 0.88 TSHR (0.50) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL4287836 0.88 GABRA1 (0.37) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL10518608 0.87 POLB (0.41) MAPTKMT2ATDP1ALDH1A1KCNN4
SCHEMBL19026475 0.87 MAPT (0.36) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL7185639 0.85 ALDH1A1 (0.43) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL11570039 0.84 KDM4E (0.44) MAPTKMT2AALDH1A1CYP2C19HSD17B10
SCHEMBL7183186 0.84 KMT2A (0.39) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL112703 0.81 MAPT (0.55) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL5656237 0.80 ALDH1A1 (0.38) MAPTKMT2ATDP1ALDH1A1TSHR
SCHEMBL30297746 0.79 THRA (0.38) MAPTKMT2ACYP3A4MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116350520-A Self-adhesive dental composite cement with good transparency based on acid treated fillers 义获嘉伟瓦登特公司 2023-06-30 CN claimed
CN-116350518-A Self-adhesive dental composite cement with good transparency 义获嘉伟瓦登特公司 2023-06-30 CN claimed
CN-116350519-A Sulfate-or phosphate-containing self-adhesive dental composite cements with good transparency 义获嘉伟瓦登特公司 2023-06-30 CN claimed
EP-2841496-B1 RUBBER COMPOSITIONS ALLNEX GERMANY GMBH (DE) 2022-10-26 EP claimed
CN-117917236-A Storage-stable self-adhesive composite cements with good transparency and good radiopacity 义获嘉伟瓦登特公司 2024-04-23 CN disclosed
CN-116350518-A Self-adhesive dental composite cement with good transparency 义获嘉伟瓦登特公司 2023-06-30 CN disclosed
CN-116350520-A Self-adhesive dental composite cement with good transparency based on acid treated fillers 义获嘉伟瓦登特公司 2023-06-30 CN disclosed
CN-116350519-A Sulfate-or phosphate-containing self-adhesive dental composite cements with good transparency 义获嘉伟瓦登特公司 2023-06-30 CN disclosed
EP-3620308-B1 PNEUMATIC TIRE GOODYEAR TIRE & RUBBER (US) 2022-12-21 EP disclosed
CN-114845683-A Aesthetic dental filling material with high depth of cure 义获嘉伟瓦登特公司 2022-08-02 CN disclosed