SCHEMBL28544639

SCHEMBL28544639

CCCCCOC(N)=S.CCCCCOC(N)=S.[Zn]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
NAAA Q02083 1/20 0.45
EPHX1 P07099 1/20 0.42
TSHR P16473 3/20 0.41
LPAR2 Q9HBW0 3/20 0.40
LPAR3 Q9UBY5 3/20 0.40
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2216270 0.98 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL5319898 0.98 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL9583014 0.98 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL28672 0.98
SCHEMBL9870205 0.98 CA12 (0.60) CA12CA1CA2CA9NAAA
SCHEMBL9784644 0.95 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL12095457 0.95 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL8503286 0.95 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL701004 0.95 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL6691892 0.95 CA12 (0.59) CA12CA1CA2CA9NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165779-A Lubricating grease composition and preparation method and application thereof 中国石油化工股份有限公司 2024-06-11 CN claimed
CN-116064188-A Lubricating oil composition and method for producing the same 中国石油化工股份有限公司 2023-05-05 CN claimed
CN-108795547-B Plant compound engine oil containing graphene-inorganic nonmetallic fibers 颜凤生 2021-03-23 CN claimed
CN-118165779-A Lubricating grease composition and preparation method and application thereof 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-117448064-A Conductive lubricant 甘肃海亮新能源材料有限公司 2024-01-26 CN disclosed
CN-117186510-A Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2023-12-08 CN disclosed
CN-117186509-A Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2023-12-08 CN disclosed
CN-117070200-A Preparation method of organic heat carrier 山东环球润滑油有限公司 2023-11-17 CN disclosed
CN-112533991-B Rubber composition, rubber material, use thereof, and additive 大塚化学株式会社 2023-10-17 CN disclosed
CN-113583739-A Screw air compressor cooling liquid and preparation method thereof 安美科技股份有限公司 2021-11-02 CN disclosed
CN-108795547-B Plant compound engine oil containing graphene-inorganic nonmetallic fibers 颜凤生 2021-03-23 CN disclosed
CN-108795547-B Plant compound engine oil containing graphene-inorganic nonmetallic fibers 颜凤生 2021-03-23 CN disclosed