SCHEMBL28968969

SCHEMBL28968969

CCCCCCCCCC(=O)NC(Cc1nc2cc(C(=O)OCc3ccccc3)ccc2o1)C(=O)NCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SIRT2 Q8IXJ6 9/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ SIRT1 Q96EB6 7/20 0.45
▸ SIRT3 Q9NTG7 7/20 0.45
▸ PTGER4 P35408 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PTPN1 P18031 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
SCHEMBL25023561 1.00 MEN1 (0.49) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL30306801 1.00 MEN1 (0.49) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL30306884 0.87 GRIA1 (0.47) RAB9AGRIA1PTPN1
SCHEMBL28968965 0.87 GRIA1 (0.47) RAB9AGRIA1PTPN1
SCHEMBL30306844 0.87 RAB9A (0.46) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL30306748 0.85 TLR2 (0.43) MEN1ALDH1A1HPGDKMT2ASIRT2
SCHEMBL25023565 0.80 RAB9A (0.44) MEN1ALDH1A1HPGDKMT2ARAB9A
SCHEMBL25023560 0.79 RAB9A (0.46) MEN1ALDH1A1HPGDKMT2ARAB9A
SCHEMBL28968954 0.76 TLR2 (0.47) KMT2A
SCHEMBL25023379 0.76 TLR2 (0.60) —

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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