SCHEMBL21630424

SCHEMBL21630424

Oc1ccc(C2CCCCCCCCCCC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.57
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
QDPR P09417 3/20 0.46
BACE1 P56817 2/20 0.42
NUDT1 P36639 1/20 0.42
KMO O15229 1/20 0.42
ESR2 Q92731 2/20 0.41
PDK2 Q15119 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
APP P05067 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL13072706 1.00 ACMSD (0.57) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL30215678 1.00 ACMSD (0.57) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL10021047 0.94 ACMSD (0.51) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL30746608 0.90 QDPR (0.50) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL15729348 0.90 QDPR (0.50) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL7149585 0.83 ESR2 (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL7149586 0.83 ESR2 (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL127034 0.82 ACMSD (0.44) ACMSDBACE1KMOPDK2CYP3A4
SCHEMBL68815 0.82 QDPR (0.66) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL21527334 0.81 QDPR (0.71) ACMSDQDPRESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166029-B Process for preparing carbonate derivatives 国立大学法人神户大学 2023-11-21 CN disclosed
CN-113166392-B Process for the preparation of polycarbonates 国立大学法人神户大学 2023-07-14 CN disclosed
CN-113227200-B Thermoplastic resin composition and optical component using the same 三菱瓦斯化学株式会社 2023-03-31 CN disclosed
CN-113439099-B Polycarbonate resin composition and optical lens using same 三菱瓦斯化学株式会社 2022-12-09 CN disclosed
CN-112449645-B Polycarbonate resin and method for producing same 三菱瓦斯化学株式会社 2022-09-23 CN disclosed
CN-114423804-A Polycarbonate resin, method for producing same, polycarbonate resin composition, and molded article 三菱瓦斯化学株式会社 2022-04-29 CN disclosed
CN-113439099-A Polycarbonate resin composition and optical lens using same 三菱瓦斯化学株式会社 2021-09-24 CN disclosed
CN-113227200-A Thermoplastic resin composition and optical component using the same 三菱瓦斯化学株式会社 2021-08-06 CN disclosed
CN-113166392-A Process for the preparation of polycarbonates 国立大学法人神户大学 2021-07-23 CN disclosed
CN-113166029-A Process for producing carbonate derivative 国立大学法人神户大学 2021-07-23 CN disclosed
WO-2021054258-A1 POLYCARBONATE RESIN, METHOD FOR PRODUCING SAME, POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY 三菱瓦斯化学株式会社 2021-03-25 WO disclosed
CN-112449645-A Polycarbonate resin and method for producing same 三菱瓦斯化学株式会社 2021-03-05 CN disclosed
WO-2020022130-A1 POLYCARBONATE RESIN AND METHOD FOR PRODUCING SAME 三菱瓦斯化学株式会社 2020-01-30 WO disclosed