SCHEMBL29201432

SCHEMBL29201432

CCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O.CCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.60
SLC6A5 Q9Y345 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLA2G2C Q5R387 1/20 0.50
KMT2A Q03164 2/20 0.49
PLA2G10 O15496 1/20 0.47
GLP1R P43220 4/20 0.47

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
SCHEMBL28517679 0.99 NOD1 (0.59) NOD1SLC6A5CYP3A4TSHRATM
SCHEMBL9762122 0.94 NOD1 (0.64) NOD1SLC6A5CYP3A4TSHRATM
SCHEMBL155008 0.94 NOD1 (0.64) NOD1SLC6A5CYP3A4TSHRATM
SCHEMBL1349261 0.94 NOD1 (0.64) NOD1SLC6A5CYP3A4TSHRATM
SCHEMBL6546077 0.89 NOD1 (0.64) NOD1SLC6A5PLA2G2CPLA2G10GLP1R
SCHEMBL6546068 0.89 NOD1 (0.64) NOD1SLC6A5PLA2G2CPLA2G10GLP1R
Adipic Acid SCHEMBL29008920 0.88 KMT2A (0.59) NOD1CYP3A4TSHRATMTDP1
SCHEMBL155010 0.88 NOD1 (0.55) NOD1SLC6A5PLA2G2CKMT2APLA2G10
SCHEMBL21838299 0.88 NOD1 (0.55) NOD1SLC6A5PLA2G2CKMT2APLA2G10
SCHEMBL21495973 0.88 NOD1 (0.55) NOD1SLC6A5PLA2G2CKMT2APLA2G10

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-115209870-B Cosmetic composition 信越化学工业株式会社 2024-05-10 CN disclosed
CN-115175662-B Cosmetic product 信越化学工业株式会社 2024-05-03 CN disclosed
CN-112955223-B Cosmetic material 信越化学工业株式会社 2023-11-03 CN disclosed
CN-113194922-B Microemulsion composition, cured product thereof, and cosmetic containing cured product thereof 信越化学工业株式会社 2023-07-07 CN disclosed