SCHEMBL28830574

SCHEMBL28830574

CCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCCCCCC)CC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 2/20 0.45
TSHR P16473 4/20 0.44
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPK1 P28482 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL6239517 0.98 CA2 (0.46) CA2CA1TSHRCYP3A4ATM
SCHEMBL2440937 0.88 CYP3A4 (0.55) CA2CA1TSHRCYP3A4ATM
SCHEMBL17180577 0.86 CA2 (0.64) CA2CA1TSHRCYP3A4ATM
SCHEMBL18584413 0.86 CA2 (0.46) CA2CA1TSHRCYP3A4ATM
SCHEMBL14860259 0.86 CA2 (0.64) CA2CA1TSHRCYP3A4ATM
SCHEMBL28342464 0.85 NAAA (0.50) CA2CA1TSHRATMPRSS1
SCHEMBL12099901 0.85 CA2 (0.61) CA2CA1TSHRNAAAHCAR2
SCHEMBL20512288 0.85 CA2 (0.55) CA2CA1TSHRNAAAHCAR2
SCHEMBL21641862 0.85 CA2 (0.55) CA2CA1TSHRNAAAHCAR2
SCHEMBL21840853 0.85 CA2 (0.55) CA2CA1TSHRNAAAHCAR2

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
CN-117396177-A Transparent cleaning agent 株式会社资生堂 2024-01-12 CN disclosed
CN-111263630-B Oil-in-water type emulsified solid cosmetic 株式会社资生堂 2023-12-08 CN disclosed
CN-116940337-A Oil-in-water type cosmetic 株式会社资生堂 2023-10-24 CN disclosed
CN-114845692-A Oily particle and external composition 株式会社资生堂 2022-08-02 CN disclosed