SCHEMBL28443270

SCHEMBL28443270

CCCCCCCCOC(=O)C(C)(C)S

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 6/20 0.44
DGKA P23743 1/20 0.44

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
SCHEMBL4679753 1.00 NAAA (0.53) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4676466 0.98 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4677248 0.92 ALDH1A1 (0.52) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL4462237 0.92 NAAA (0.40) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4463477 0.89 NAAA (0.37) NAAAEPHX1TSHRALDH1A1ACHE
SCHEMBL28214208 0.85 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL417576 0.83 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL128589 0.83 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7943712 0.83 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL666140 0.83 NAAA (0.57) NAAAEPHX1TSHRHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111560096-A Preparation method of styrene butadiene rubber 中国石油天然气股份有限公司 2020-08-21 CN claimed
CN-111560096-B Preparation method of styrene butadiene rubber 中国石油天然气股份有限公司 2023-02-10 CN disclosed
CN-111560096-A Preparation method of styrene butadiene rubber 中国石油天然气股份有限公司 2020-08-21 CN disclosed