SCHEMBL4863544

SCHEMBL4863544

Cc1cc(C)cc(NCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5187258 0.95 THRB (0.50) THRBHPGDGAAMAPK1MEN1
SCHEMBL30688924 0.90 THRB (0.47) THRBHPGDGAAMAPK1MEN1
SCHEMBL2849528 0.87 ALDH1A1 (0.46) THRBHPGDGAAMAPK1MEN1
SCHEMBL8284428 0.86 HPGD (0.58) THRBHPGDMAPTHTTCYP1A2
SCHEMBL14434296 0.86 THRB (0.43) THRBHPGDGAAMAPK1MEN1
SCHEMBL4740356 0.85 THRB (0.64) THRBHPGDGAAMAPTHTT
SCHEMBL5604580 0.85 ALDH1A1 (0.59) THRBHPGDGAAMAPTHTT
SCHEMBL4863487 0.83 ALDH1A1 (0.58) THRBHPGDGAAMAPTHTT
SCHEMBL11509198 0.82 GAA (0.42) THRBGAAMAPK1MEN1KMT2A
SCHEMBL30468755 0.79 MAPT (0.77) HPGDGAAMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0631598-A4 COMPOSITE DENTAL CEMENT COMPOSITION CONTAINING A LANTHANIDE SERIES COMPOUND. ESSENTIAL DENTAL SYSTEMS INC (US) 1995-04-12 EP claimed
EP-0631598-A1 COMPOSITE DENTAL CEMENT COMPOSITION CONTAINING A LANTHANIDE SERIES COMPOUND ESSENTIAL DENTAL SYSTEMS, INC. (US) 1995-01-04 EP claimed
WO-1993019119-A1 COMPOSITE DENTAL CEMENT COMPOSITION CONTAINING A LANTHANIDE SERIES COMPOUND ESSENTIAL DENTAL SYSTEMS, INC. (US) 1993-09-30 WO claimed
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-117597099-A Curable composition for dental use 可乐丽则武齿科株式会社 2024-02-23 CN disclosed
CN-112135598-B Macromer-based photocurable dental impression material 登士柏希罗纳有限公司 2023-12-22 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-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-116916872-A Dental composition 可乐丽则武齿科株式会社 2023-10-20 CN disclosed
WO-2005058874-A1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
CN-1273809-A Binding compsns. KURARAY CO (JP) 2000-11-22 CN disclosed
CN-1033799-A (methyl)-acrylate and application thereof BEIL CO (DE) 1989-07-12 CN disclosed
EP-0264551-A2 Methacrylic-acid derivatives containing urethane groups BAYER AG (DE) 1988-04-27 EP disclosed
CN-87106681-A Siloxanes (methyl) acrylate that contains tricyclodecane groups 1988-04-20 CN disclosed
EP-0254950-A2 (Meth-)acrylic esters BAYER AG (DE) 1988-02-03 EP disclosed
EP-0254185-A1 (Meth)acrylic acid derivatives of tricyclo[5.2.1.02.6]decanes containing urethane groups BAYER AG (DE) 1988-01-27 EP disclosed
EP-0254263-A2 (Meth)acrylic acid derivatives containing urethane groups BAYER AG (DE) 1988-01-27 EP disclosed
CN-86102967-A The method of preparation (methyl)-CALCIUM ACRYLATE 1986-12-24 CN disclosed