SCHEMBL2680752

SCHEMBL2680752

CCC(C)CCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 13/20 0.37
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
TP53 P04637 1/20 0.35
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL4583294 1.00 ENPEP (0.37) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL27882009 0.98 ENPEP (0.36) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL2680846 0.86 APP (0.41) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL6589960 0.86 APP (0.41) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL8813035 0.84 TP53 (0.41) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL5637992 0.83 TSHR (0.44) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL8810688 0.82 TP53 (0.39) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL11341696 0.80 PTGS1 (0.36) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL11872496 0.80 TSHR (0.46) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL8811502 0.79 TP53 (0.45) ENPEPTP53S1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387825-A Long-chain alkyl ester amine compound or fluorine-containing long-chain alkyl ester amine compound and kilogram-level preparation method thereof 福州大学 2021-09-14 CN claimed
CN-115052875-A 4- (4- (4, 5-dihydroisoxazol-3-yl) thiazol-2-yl) piperidinethimine or sulfoximine derivatives as fungicides for crop protection and related compounds PI工业有限公司 2022-09-13 CN disclosed
CN-114761403-A 1- (4- (4- (5-phenyl-4, 5-dihydroisoxazol-3-yl) thiazol-2-yl) piperidin-1-yl) -ethan-1-one derivatives and related compounds as crop protection fungicides PI工业有限公司 2022-07-15 CN disclosed
CN-114341131-A Novel oxadiazole compounds comprising a 5-membered heteroaromatic ring for controlling or preventing phytopathogenic fungi PI工业有限公司 2022-04-12 CN disclosed
CN-109400476-B Preparation method of estolide 华东理工大学 2022-04-01 CN disclosed
CN-113454063-A 3-substituted phenylamidine compounds, preparation method and application thereof PI工业有限公司 2021-09-28 CN disclosed
CN-113387825-A Long-chain alkyl ester amine compound or fluorine-containing long-chain alkyl ester amine compound and kilogram-level preparation method thereof 福州大学 2021-09-14 CN disclosed
CN-113195483-A Novel oxadiazole compound PI工业有限公司 2021-07-30 CN disclosed
CN-113195461-A Novel oxadiazole compound PI工业有限公司 2021-07-30 CN disclosed
CN-112469687-A Novel method for preparing o-formamido benzamide compound PI工业有限公司 2021-03-09 CN disclosed
US-4678841-A TIN OR TITANIUM HALIDE AND ORGANOSULFONIC ACID AS BINARY CATALYST KURARAY COMPANY, LTD. (JP) 1987-07-07 US disclosed
EP-0220297-A1 NITROGEN-CONTAINING HETEROCYCLES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006373-A1 NITROGEN-CONTAINING HETEROCYCLES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed
EP-0199004-A1 Pyrimidine derivatives MERCK PATENT GmbH (DE) 1986-10-29 EP disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed