SCHEMBL28517679

SCHEMBL28517679

CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCC(=O)O.CCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.59
SLC6A5 Q9Y345 1/20 0.49
PLA2G2C Q5R387 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
GLP1R P43220 3/20 0.46
PLA2G10 O15496 2/20 0.46

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
SCHEMBL29201432 0.99 NOD1 (0.60) NOD1SLC6A5PLA2G2CCYP3A4TSHR
SCHEMBL9762122 0.93 NOD1 (0.64) NOD1SLC6A5PLA2G2CCYP3A4TSHR
SCHEMBL1349261 0.93 NOD1 (0.64) NOD1SLC6A5PLA2G2CCYP3A4TSHR
SCHEMBL155008 0.93 NOD1 (0.64) NOD1SLC6A5PLA2G2CCYP3A4TSHR
Adipic Acid SCHEMBL29008920 0.89 KMT2A (0.59) NOD1PLA2G2CCYP3A4TSHRATM
SCHEMBL6546077 0.88 NOD1 (0.64) NOD1SLC6A5PLA2G2CGLP1RPLA2G10
SCHEMBL6546068 0.88 NOD1 (0.64) NOD1SLC6A5PLA2G2CGLP1RPLA2G10
SCHEMBL9762130 0.87 NOD1 (0.55) NOD1SLC6A5PLA2G2CKMT2APLA2G10
SCHEMBL155010 0.87 NOD1 (0.55) NOD1SLC6A5PLA2G2CKMT2APLA2G10
SCHEMBL21495973 0.87 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897131-A Method for producing film 花王株式会社 2024-04-16 CN disclosed
CN-116916879-A Cosmetic product 株式会社资生堂 2023-10-20 CN disclosed
CN-116172882-A Oil-in-water type emulsified cosmetic 株式会社资生堂 2023-05-30 CN disclosed
CN-114917147-A Method for producing coating film 花王株式会社 2022-08-19 CN disclosed
CN-112402279-A Whitening cosmetic and use of composition containing D-panthenol in preparation of whitening cosmetic 宝丽化成工业有限公司 2021-02-26 CN disclosed
CN-112402285-A Whitening cosmetic and use of composition containing D-panthenol in preparation of whitening cosmetic 宝丽化成工业有限公司 2021-02-26 CN disclosed