SCHEMBL2881741

SCHEMBL2881741

COc1cccc(-c2nc(C(=O)O)co2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.65
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
IKBKB O14920 1/20 0.51
DGAT2 Q96PD7 1/20 0.51
NOTUM Q6P988 1/20 0.50
GPR35 Q9HC97 1/20 0.49
F2 P00734 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2866326 0.83 MAPT (0.54) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL27930829 0.83 DHODH (0.49) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL31604697 0.82 HDAC1 (0.72) PDE4BALDH1A1HPGDHDAC1HDAC8
SCHEMBL1683609 0.82 CNR2 (0.55) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL12171824 0.82 VDR (0.55) PDE4BALDH1A1HPGDNPC1RAB9A
SCHEMBL2870864 0.81 HDAC1 (0.74) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL4896931 0.81 MRGPRX4 (0.53) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL2872214 0.79 HDAC1 (0.52) PDE4BALDH1A1HDAC1HDAC8HDAC6
SCHEMBL31604659 0.79 ALDH1A1 (0.67) PDE4BALDH1A1HPGDHDAC1HDAC8
SCHEMBL287420 0.78 ALDH1A1 (0.74) PDE4BALDH1A1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed