SCHEMBL9766536

SCHEMBL9766536

CCCCCCCCCCCCCCCCOCC(CC(CCCCCCCCCCCCCC)C(=O)NCCO)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 12/20 0.49
MMP3 P08254 2/20 0.44
MMP8 P22894 2/20 0.44
MMP9 P14780 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 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
SCHEMBL9863456 0.82 TLR2 (0.50) TLR2
SCHEMBL9716445 0.79 TLR2 (0.47) TLR2
SCHEMBL10406285 0.79 TLR2 (0.47) TLR2
SCHEMBL10765141 0.77 TLR2 (0.46) TLR2
SCHEMBL25227184 0.76 USP2 (0.47) TLR2
SCHEMBL1096268 0.76 USP2 (0.47) TLR2
SCHEMBL25227181 0.76 USP2 (0.47) TLR2
SCHEMBL15070695 0.76 USP2 (0.47) TLR2
SCHEMBL25077516 0.76 USP2 (0.47) TLR2
SCHEMBL385333 0.76 USP2 (0.47) TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028416-A Moisturizers, cosmetics, amide or amine containing hydroxy groups and alkyl ether groups KAO CORPORATION (JP) 1991-07-02 US disclosed