SCHEMBL22347082

SCHEMBL22347082

CC(C)[C@H](NCCCOCCON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CYP2C9 P11712 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL30503471 0.84 GAA (0.49) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL26347018 0.84 GAA (0.49) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL29475702 0.84 GAA (0.49) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL3183424 0.78 SMN1; SMN2 (0.41) GAAALDH1A1ABCB1SMN1; SMN2L3MBTL1
SCHEMBL25719625 0.76 GAA (0.58) GAAALDH1A1MALT1TPSAB1TPSD1
SCHEMBL14950485 0.74 GAA (0.63) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL16726882 0.74 GAA (0.63) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL12143602 0.73 MALT1 (0.50) GAARECQLTDP1MALT1TPSAB1
SCHEMBL31314288 0.73 MALT1 (0.50) GAARECQLTDP1MALT1TPSAB1
SCHEMBL28656285 0.71 GAA (0.55) GAAALDH1A1CYP1A2RECQLCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199968-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF Ambrx, Inc. (US) 2023-06-28 — — EP disclosed
WO-2022040596-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2022-02-24 — — WO disclosed
EP-3923991-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES Ambrx, Inc. (US) 2021-12-22 — — EP disclosed
WO-2020168017-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES AMBRX, INC. (US) 2020-08-20 — — WO disclosed
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