SCHEMBL28969006

SCHEMBL28969006

CCCCCCNC(=O)C(N)Cc1nc2cc(C(=O)O)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RRM1 P23921 1/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ NAAA Q02083 2/20 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
SCHEMBL30306844 0.86 RAB9A (0.46) RAB9ANPC1
SCHEMBL30306884 0.85 GRIA1 (0.47) RAB9A
SCHEMBL28968965 0.85 GRIA1 (0.47) RAB9A
SCHEMBL25023565 0.84 RAB9A (0.44) RAB9ANPC1
SCHEMBL28969088 0.77 HDAC8 (0.45) RAB9ANPC1RRM1DPP7GNAI3
SCHEMBL28969078 0.77 HDAC8 (0.45) RAB9ANPC1RRM1DPP7GNAI3
SCHEMBL1527336 0.77 RAB9A (0.63) RAB9ANPC1
SCHEMBL28968974 0.76 RARB (0.42) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL28968977 0.76 RARB (0.42) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL18983866 0.75 RAB9A (0.68) RAB9ANPC1

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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