SCHEMBL21496239

SCHEMBL21496239

CC(C)(C)c1cc(NCCO)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RXRA P19793 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
GSR P00390 2/20 0.37
ACLY P53396 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP6 P55212 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL2343338 0.87 GABRA1 (0.44) ALDH1A1RXRAGABRA1GABRB2MEN1
SCHEMBL14065406 0.81 HRH3 (0.54) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL1972751 0.81 P2RX1 (0.46) MAPTIL1BTRPA1CYP1A2
SCHEMBL12781694 0.79 HRH3 (0.49) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL14092973 0.72 KCNH2 (0.40) GAACASP6KDM4EMAPTL3MBTL1
SCHEMBL4863544 0.71 THRB (0.55) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL5187258 0.71 THRB (0.50) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL14092979 0.71 SYK (0.38) ALDH1A1GAAKDM4EMAPTTRPA1
SCHEMBL10430838 0.71 RXRA (0.57) ALDH1A1RXRAGABRA1GABRB2ACLY
SCHEMBL13618776 0.70 GABRA1 (0.52) ALDH1A1RXRAGABRA1GABRB2GAA

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118338879-A Curable composition for dental use 可乐丽则武齿科株式会社 2024-07-12 CN disclosed
CN-112545901-B One-part dental adhesive composition 株式会社松风 2024-03-22 CN disclosed
CN-110317226-B Silane coupling compounds and curable dental compositions containing the same 株式会社松风 2023-12-19 CN disclosed
CN-111683640-B dental composition 登士柏希罗纳有限公司 2023-10-27 CN disclosed
CN-116916872-A Dental composition 可乐丽则武齿科株式会社 2023-10-20 CN disclosed
CN-114929158-B Method for producing denture, curable composition for photoforming, and kit for producing denture 株式会社德山齿科 2023-10-20 CN disclosed
CN-113677293-B Curable composition for dental restoration 可乐丽则武齿科株式会社 2023-10-10 CN disclosed
CN-116568502-A Active energy ray-curable composition having dark part curability 东亚合成株式会社 2023-08-08 CN disclosed
CN-116367806-A Curable composition for dentistry having excellent color tone adaptability 可乐丽则武齿科株式会社 2023-06-30 CN disclosed
CN-111050731-B Non-solvent dental adhesive composition 可乐丽则武齿科株式会社 2023-06-20 CN disclosed
CN-111225647-A Dental composition 可乐丽则武齿科株式会社 2020-06-02 CN disclosed
CN-111225933-A (meth) acrylic acid esters and use thereof 三井化学株式会社 2020-06-02 CN disclosed
CN-111093559-A Dental mill blank and method for producing same 可乐丽则武齿科株式会社 2020-05-01 CN disclosed
CN-111050731-A Non-solvent adhesive composition for dental use 可乐丽则武齿科株式会社 2020-04-21 CN disclosed
WO-2020067146-A1 RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING URETHANE BOND AND USING DIISOCYANATE AS SUBSTRATE 株式会社松風 2020-04-02 WO disclosed
WO-2020040141-A1 (METH)ACRYLATE, MONOMER COMPOSITION FOR DENTAL MATERIAL, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, DENTAL MATERIAL, AND METHOD FOR PRODUCING (METH)ACRYLATE 三井化学株式会社 2020-02-27 WO disclosed
WO-2020031444-A1 CURABLE COMPOSITION FOR DENTISTRY 株式会社ジーシー 2020-02-13 WO disclosed
CN-110785159-A Dual paste type dental curable composition 可乐丽则武齿科株式会社 2020-02-11 CN disclosed
CN-106456452-B Self-adhesive dental composite resin 可乐丽则武齿科株式会社 2020-01-31 CN disclosed
WO-2019203356-A1 ADHESIVE COMPOSITION FOR DENTAL USE クラレノリタケデンタル株式会社 2019-10-24 WO disclosed