SCHEMBL3358129

SCHEMBL3358129

CC(C)c1cccc(C(C)C)c1.N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TYR P14679 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 2/20 0.50
MDM4 O15151 1/20 0.50
CA1 P00915 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CA5A P35218 1/20 0.50
MDM2 Q00987 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL2045779 1.00 HDAC4 (0.50) HDAC4HDAC8KDM4ETYRCA2
Carbimide SCHEMBL23877346 0.90 HDAC4 (0.48) HDAC4HDAC8KDM4ETYRCA2
Carbimide SCHEMBL17255508 0.90 HDAC4 (0.48) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL28753521 0.86 KDM4E (0.52) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL659373 0.85 FABP3 (0.39) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL374780 0.84 HDAC4 (0.56) HDAC4HDAC8KDM4ETYRCA2
Isopropylbenzene SCHEMBL1347599 0.83 CYP2C9 (0.41) HDAC4HDAC8KDM4ETYRCA2
Isopropylbenzene SCHEMBL133881 0.83 CYP2C9 (0.41) HDAC4HDAC8KDM4ETYRCA2
Water SCHEMBL9322811 0.82 HDAC4 (0.54) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL19031518 0.82 KDM4E (0.54) HDAC4HDAC8KDM4ETYRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192577-A Resin wafer and preparation method thereof 歌尔光学科技有限公司 2024-12-27 CN claimed
CN-116285397-A DA-based thermoreversible dynamic covalent bond polyurethane modified asphalt and preparation method thereof 同济大学 2023-06-23 CN claimed
CN-115057988-A Thermoplastic elastomer and protective film 惠州市浩明科技股份有限公司 2022-09-16 CN claimed
CN-112679388-A Preparation method and preparation device of 2, 6-diisopropylbenzene isocyanate 浙江丽水有邦新材料有限公司 2021-04-20 CN claimed
EP-0149765-A2 Coating compositions containing a ketimine AMERICAN CYANAMID COMPANY (US) 1985-07-31 EP claimed
CN-119192577-A Resin wafer and preparation method thereof 歌尔光学科技有限公司 2024-12-27 CN disclosed
CN-116124953-B Rapid detection method for determining isocyanate by ultra-efficient phase-combining chromatography 重庆市计量质量检测研究院 2024-07-02 CN disclosed
CN-116285397-A DA-based thermoreversible dynamic covalent bond polyurethane modified asphalt and preparation method thereof 同济大学 2023-06-23 CN disclosed
CN-116124953-A Rapid detection method for determining isocyanate by ultra-efficient phase-combining chromatography 重庆市计量质量检测研究院 2023-05-16 CN disclosed
CN-115536723-A Preparation method of troostitan 天津天药药业股份有限公司 2022-12-30 CN disclosed
CN-115057988-A Thermoplastic elastomer and protective film 惠州市浩明科技股份有限公司 2022-09-16 CN disclosed
CN-115057988-A Thermoplastic elastomer and protective film 惠州市浩明科技股份有限公司 2022-09-16 CN disclosed
US-20020107353-A1 Polyisocyanate compounds, process for producing the same, and optical materials using the same KITAHARA YOSHITAKA (JP) 2002-08-08 US disclosed
EP-0164491-B1 PROCESS FOR THE PREPARATION OF TERTIARY ARALKYL URETHANES AND PROCESS FOR THE PREPARATION OF ISOCYANATES DERIVED THEREFROM AMERICAN CYANAMID COMPANY (US) 1990-05-09 EP disclosed
EP-0149765-B1 COATING COMPOSITIONS CONTAINING A KETIMINE AMERICAN CYANAMID COMPANY (US) 1990-03-28 EP disclosed
EP-0164494-B1 SYSTEM FOR CONVEYING CONICAL ARTICLES YAMAKYU AUTOMATICS CO., LTD. (JP) 1987-08-26 EP disclosed
EP-0101832-B1 TERTIARY ARALKYL URETHANES AND ISOCYANATES DERIVED THEREFROM AMERICAN CYANAMID COMPANY (US) 1986-12-17 EP disclosed
EP-0164491-A1 Process for the preparation of tertiary aralkyl urethanes and process for the preparation of isocyanates derived therefrom AMERICAN CYANAMID COMPANY (US) 1985-12-18 EP disclosed
US-4439616-A THERMAL CRACKING, ACID CATALYST AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
EP-0101832-A1 Tertiary aralkyl urethanes and isocyanates derived therefrom AMERICAN CYANAMID COMPANY (US) 1984-03-07 EP disclosed