SCHEMBL7782804

SCHEMBL7782804

CCCCCc1ccccc1C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
CYP3A4 P08684 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 6/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
POLB P06746 1/20 0.50
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LIPG Q9Y5X9 1/20 0.47

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
SCHEMBL3949422 0.98 TSHR (0.61) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL29089577 0.98 TSHR (0.61) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL2416144 0.98 TSHR (0.61) TSHRCYP3A4TP53MAPK1ALDH1A1
Benzene SCHEMBL27466115 0.95 TSHR (0.57) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL1791133 0.95 TSHR (0.65) TSHRCYP3A4TP53MAPK1ALDH1A1
Dimethylamine SCHEMBL7749579 0.89 TSHR (0.57) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL11637746 0.89 TSHR (0.61) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL8733285 0.88 TSHR (0.69) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL5407185 0.88 ALDH1A1 (0.71) TSHRCYP3A4TP53MAPK1ALDH1A1
SCHEMBL21800979 0.88 ALDH1A1 (0.77) TSHRCYP3A4TP53MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113231032-A MoS2QDs @ Zr-MOF/Co doped Fe3O4Boron isotope adsorbent and preparation method thereof 中国科学院青海盐湖研究所 2021-08-10 CN claimed
CN-116041577-B Olefin polymerization catalyst component, catalyst system, application and olefin polymerization method 中国石油化工股份有限公司 2024-12-06 CN disclosed
CN-116041580-B Silicon-containing spherical olefin polymerization catalyst component, preparation method and catalyst system 中国石油化工股份有限公司 2024-07-02 CN disclosed
CN-116041583-B Catalyst component and catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2024-07-02 CN disclosed
CN-116041593-B Preparation method of spherical magnesium halide adduct and product and application thereof 中国石油化工股份有限公司 2024-07-02 CN disclosed
CN-116041585-B Spherical magnesium halide adduct and preparation method and application thereof 中国石油化工股份有限公司 2024-06-04 CN disclosed
CN-117964811-A Catalyst component, catalyst system, application of catalyst system and olefin polymerization method 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117964810-A Phosphorus-containing magnesium halide adduct and preparation method and application thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117924555-A Catalyst component, catalyst system, application of catalyst system and olefin polymerization method 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117924552-A Catalyst component, catalyst system, application and olefin polymerization method 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117924553-A Titanium-containing magnesium halide adduct and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117924556-A Spherical magnesium halide adduct and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-116041580-A Silicon-containing spherical olefin polymerization catalyst component, preparation method and catalyst system 中国石油化工股份有限公司 2023-05-02 CN disclosed
CN-116041593-A Preparation method of spherical magnesium halide adduct and product and application thereof 中国石油化工股份有限公司 2023-05-02 CN disclosed
CN-116041583-A Catalyst component and catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2023-05-02 CN disclosed
CN-116041585-A Spherical magnesium halide adduct and preparation method and application thereof 中国石油化工股份有限公司 2023-05-02 CN disclosed
EP-0802920-B1 ANTIFUNGAL FUSACANDINS ABBOTT LAB (US) 2001-10-04 EP disclosed
US-5773421-A Antifungal fusacandins ABBOTT LABORATORIES (US) 1998-06-30 US disclosed
EP-0802920-A2 ANTIFUNGAL FUSACANDINS Abbott Laboratories (US) 1997-10-29 EP disclosed
WO-1996021670-A2 ANTIFUNGAL FUSACANDINS ABBOTT LABORATORIES (US) 1996-07-18 WO disclosed