SCHEMBL28656285

SCHEMBL28656285

CC(C)C(NC(=O)CCOCCON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.49
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ SDCBP O00560 4/20 0.45
▸ SDC2 P34741 4/20 0.45
▸ MBTPS1 Q14703 1/20 0.44
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RECQL P46063 1/20 0.38

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
SCHEMBL29475669 1.00 GAA (0.55) GAAALDH1A1FNTAFNTBSDCBP
SCHEMBL26347009 1.00 GAA (0.55) GAAALDH1A1FNTAFNTBSDCBP
SCHEMBL29475702 0.86 GAA (0.49) GAAALDH1A1FNTAFNTBSDCBP
SCHEMBL26347018 0.86 GAA (0.49) GAAALDH1A1FNTAFNTBSDCBP
SCHEMBL30503471 0.86 GAA (0.49) GAAALDH1A1FNTAFNTBSDCBP
SCHEMBL14237856 0.77 GAA (0.75) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL29475643 0.77 GAA (0.75) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL14237920 0.77 GAA (0.75) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL23921490 0.77 GAA (0.57) GAAALDH1A1KMT2ARECQL
SCHEMBL26353713 0.76 GAA (0.69) GAAALDH1A1CYP1A2CYP2C9KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 — — CN disclosed
CN-113660957-A Compositions, methods, and uses comprising antibody-TLR agonist conjugates AMBRX公司 2021-11-16 — — CN disclosed
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