SCHEMBL28968916

SCHEMBL28968916

CCCCCCCCC(=O)NC(Cc1nnc(-c2ccc(C(=O)O)cc2)s1)C(=O)NCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.49
▸ RARB P10826 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ CSNK2A2 P19784 3/20 0.46
▸ CSNK2A1 P68400 3/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ CHRND Q07001 5/20 0.44
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ LPAR3 Q9UBY5 2/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43

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
SCHEMBL30306958 1.00 GRIA1 (0.49) GRIA1RARBRARGCSNK2A2CSNK2A1
SCHEMBL25022238 0.91 GRIA1 (0.48) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL30306944 0.85 GRIA1 (0.47) GRIA1RARBRARGPTPN1PLG
SCHEMBL25023280 0.85 GRIA1 (0.47) GRIA1RARBRARGPTPN1PLG
SCHEMBL28968982 0.84 CSNK2A2 (0.50) RARBRARGCSNK2A2CSNK2A1
SCHEMBL28968979 0.84 CSNK2A2 (0.50) RARBRARGCSNK2A2CSNK2A1
SCHEMBL25022249 0.80 CSNK2A2 (0.44) RARBRARGCSNK2A2CSNK2A1
SCHEMBL30306849 0.80 GRIA1 (0.47) GRIA1RARBRARGPTPN1CHRND
SCHEMBL28968987 0.80 GRIA1 (0.47) GRIA1RARBRARGPTPN1CHRND
SCHEMBL25023302 0.77 GRIA1 (0.47) GRIA1RARBRARGPTPN1PLG

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
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
Send feedback