SCHEMBL8947378

SCHEMBL8947378

CCCCc1ccc(C(OCC)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
ACHE P22303 5/20 0.44
PTGS2 P35354 5/20 0.44
BCHE P06276 4/20 0.44
HTR2A P28223 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 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
SCHEMBL5983708 0.93 HTR2A (0.53) ACHEPTGS2HTR2AALDH1A1HSD17B10
SCHEMBL3126542 0.88 ACHE (0.46) CA2ACHEPTGS2BCHEPLK1
SCHEMBL2235768 0.85 ACHE (0.45) CA2ACHEPTGS2BCHEALDH1A1
SCHEMBL16407983 0.84 CYP4A11 (0.46) CA2ACHEPTGS2BCHEHTR2A
SCHEMBL11235369 0.82 CA2 (0.46) CA2CA1ACHEPTGS2HTR2A
SCHEMBL16407985 0.82 CYP4A11 (0.45) CA2ACHEPTGS2BCHEHTR2A
SCHEMBL6394314 0.81 PTGS2 (0.57) ACHEPTGS2BCHEESR1ADORA3
SCHEMBL5796026 0.81 PTGS2 (0.47) CA2CA1ACHEPTGS2BCHE
SCHEMBL13237042 0.79 ACHE (0.49) CA2ACHEPTGS2BCHEALDH1A1
Hydrochloric Acid SCHEMBL11512046 0.79 TAAR1 (0.50) ACHEPTGS2BCHEHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115058762-B Tin settling agent for electrotinning process and use method thereof 深圳市板明科技股份有限公司 2022-11-08 CN claimed
CN-115058762-A Tin settling agent for electrotinning process and use method thereof 深圳市板明科技股份有限公司 2022-09-16 CN claimed
CN-115058762-B Tin settling agent for electrotinning process and use method thereof 深圳市板明科技股份有限公司 2022-11-08 CN disclosed
CN-115058762-B Tin settling agent for electrotinning process and use method thereof 深圳市板明科技股份有限公司 2022-11-08 CN disclosed
CN-115058762-A Tin settling agent for electrotinning process and use method thereof 深圳市板明科技股份有限公司 2022-09-16 CN disclosed
CN-115058762-A Tin settling agent for electrotinning process and use method thereof 深圳市板明科技股份有限公司 2022-09-16 CN disclosed
CN-1067073-C Acyclic nucleoside derivatives MEDIVIR AB (CH) 2001-06-13 CN disclosed
CN-1210537-A Acyclic nucleoside derivatives MEDIVIR AB (CH) 1999-03-10 CN disclosed
US-5574174-A 1,3-2,4-DI/SUBSTITUTED ARYLIDENE/-D-SORBITOLS, WHERE SUBSTITUTED ARYLIDENE MAY INCLUDE OPTIONALLY SUBSTITUTED THIOPHENYLIDENE MONTELL NORTH AMERICA INC. (US) 1996-11-12 US disclosed
EP-0638665-B1 Process for the preparation of benzaldehyde dialkyl acetals BASF AG (DE) 1996-10-30 EP disclosed
US-5507922-A ELECTROCHEMICAL OXIDATION OF SUBSTITUTED TOLUENE IN PRESENCE OF ALKANOL AND AN AUXILLARY ELECTROLYTE IN AN ELECTROLYTIC CELL; BATCH AND CONTINUOUS PROCESSING BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5470898-A Sorbitol derivatives as nucleators and clarifiers for polyolefins, and polyolefin compositions obtained therewith MONTELL NORTH AMERICA INC. (US) 1995-11-28 US disclosed
EP-0638665-A1 Process for the preparation of benzaldehyde dialkyl acetals BASF Aktiengesellschaft (DE) 1995-02-15 EP disclosed
EP-0632091-A2 Sorbitol derivatives as nucleators and clarifiers for polyolefins, and polyolefin compositions obtained therewith MONTELL NORTH AMERICA INC. (US) 1995-01-04 EP disclosed