SCHEMBL9602250

SCHEMBL9602250

CCCC(O[C]=O)C(=O)OCCC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC1A1 P43005 1/20 0.30
PPARG P37231 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5453624 0.87 TSHR (0.39) TSHRCA12CA14MEN1KMT2A
SCHEMBL1070843 0.83 HDAC1 (0.34) TSHR
SCHEMBL1100758 0.81 CA1 (0.41) TSHRCA1CA2
SCHEMBL9054275 0.80 ALDH1A1 (0.44) TSHRCA1CA2L3MBTL1
SCHEMBL9586962 0.79 NAAA (0.43) TSHRCA12CA1CA2
SCHEMBL1100608 0.78 ALDH1A1 (0.36) TSHRL3MBTL1MEN1KMT2A
SCHEMBL4339709 0.78 NAAA (0.46) TSHRCA12CA1CA2
SCHEMBL6155074 0.73 TSHR (0.36) TSHR
SCHEMBL185251 0.72 MAPT (0.42) CA1CA2
SCHEMBL7959392 0.72 NAAA (0.43) TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386120-B1 PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATE AND ALKYL IODIDES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-01-13 EP disclosed
EP-0386120-A1 PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATE AND ALKYL IODIDES. EASTMAN KODAK CO (US) 1990-09-12 EP disclosed
WO-1989004294-A1 PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATE AND ALKYL IODIDES EASTMAN KODAK COMPANY (US) 1989-05-18 WO disclosed
US-4778918-A FROM AROMATIC IODIDE IN PRESENCE OF ETHER AND RHODIUM CATALYST EASTMAN KODAK COMPANY (US) 1988-10-18 US disclosed