SCHEMBL28969085

SCHEMBL28969085

CCCCCCCCCC(=O)NC(Cc1ncc(-c2ccc(C(=O)O)cc2)o1)C(=O)NCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ HDAC1 Q13547 9/20 0.45
▸ HDAC6 Q9UBN7 8/20 0.45
▸ HDAC3 O15379 4/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 0.45
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ LPAR3 Q9UBY5 3/20 0.42

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
SCHEMBL25023302 1.00 GRIA1 (0.47) GRIA1PTPN1HDAC1HDAC6HDAC3
SCHEMBL25023290 0.91 FAAH (0.46) GRIA1PTPN1HDAC1HDAC6HDAC3
SCHEMBL30306849 0.84 GRIA1 (0.47) GRIA1PTPN1PLGPRSS1PRSS2
SCHEMBL28968987 0.84 GRIA1 (0.47) GRIA1PTPN1PLGPRSS1PRSS2
SCHEMBL28969062 0.84 SIRT2 (0.51) —
SCHEMBL28969059 0.84 SIRT2 (0.51) —
SCHEMBL28968977 0.84 RARB (0.42) HDAC1HDAC3RARBRARGFAAH
SCHEMBL28968974 0.84 RARB (0.42) HDAC1HDAC3RARBRARGFAAH
SCHEMBL25023280 0.81 GRIA1 (0.47) GRIA1PTPN1HDAC1HDAC6PLG
SCHEMBL30306944 0.81 GRIA1 (0.47) GRIA1PTPN1HDAC1HDAC6PLG

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
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