SCHEMBL28968965

SCHEMBL28968965

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.47
▸ PTPN1 P18031 2/20 0.45
▸ LPAR3 Q9UBY5 4/20 0.43
▸ LPAR1 Q92633 2/20 0.42
▸ CHRND Q07001 5/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41

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
SCHEMBL30306884 1.00 GRIA1 (0.47) GRIA1PTPN1LPAR3LPAR1CHRND
SCHEMBL30306801 0.87 MEN1 (0.49) GRIA1PTPN1RAB9A
SCHEMBL25023561 0.87 MEN1 (0.49) GRIA1PTPN1RAB9A
SCHEMBL28968969 0.87 MEN1 (0.49) GRIA1PTPN1RAB9A
SCHEMBL28969006 0.85 RAB9A (0.43) RAB9A
SCHEMBL28968954 0.81 TLR2 (0.47) —
SCHEMBL28968992 0.80 TLR2 (0.46) RAB9A
SCHEMBL28968987 0.80 GRIA1 (0.47) GRIA1PTPN1LPAR3LPAR1CHRND
SCHEMBL30306849 0.80 GRIA1 (0.47) GRIA1PTPN1LPAR3LPAR1CHRND
SCHEMBL25023379 0.79 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
Send feedback