SCHEMBL29954899

SCHEMBL29954899

CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 1.00
KMT2A Q03164 8/20 1.00
ALDH1A1 P00352 5/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
GAA P10253 4/20 1.00
MASP2 O00187 3/20 1.00
MCL1 Q07820 2/20 1.00
USP2 O75604 2/20 1.00
NSD2 O96028 1/20 1.00
ALPL P05186 1/20 1.00
APOBEC3A P31941 1/20 1.00
APOBEC3G Q9HC16 1/20 1.00
PTPN7 P35236 14/20 0.81
HSPA1A P0DMV8 13/20 0.81
CDC25B P30305 2/20 0.81
CD44 P16070 2/20 0.81
MSN P26038 2/20 0.81
EZH2 Q15910 2/20 0.81
PTPN1 P18031 1/20 0.81
AKT1 P31749 1/20 0.81

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
SCHEMBL16706084 1.00 POLB (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL29415450 0.90 PTPN7 (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL2808722 0.90 PTPN7 (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL17211738 0.85 HSPA1A (0.81) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL2116528 0.85 PTPN7 (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL13725129 0.84 PTPN7 (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL13856706 0.84 PTPN7 (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL1066515 0.84 PTPN7 (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL15033517 0.84 POLB (1.00) POLBKMT2AALDH1A1L3MBTL1GAA
SCHEMBL13186581 0.82 PTPN7 (0.73) POLBKMT2AALDH1A1L3MBTL1GAA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed