SCHEMBL31604697

SCHEMBL31604697

COc1ccc(-c2nc(C(=O)O)co2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.72
HDAC8 Q9BY41 6/20 0.72
HDAC6 Q9UBN7 6/20 0.72
PDE4B Q07343 3/20 0.61
PDE4D Q08499 3/20 0.61
ENPP3 O14638 1/20 0.56
ENPP1 P22413 1/20 0.56
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
NR4A2 P43354 1/20 0.51
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.47
MCL1 Q07820 1/20 0.47
IKBKB O14920 1/20 0.47

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
SCHEMBL13819985 0.86 HDAC1 (0.70) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL25002914 0.86 HDAC1 (0.74) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL2881741 0.82 PDE4B (0.65) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL25003155 0.82 HDAC1 (0.78) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL7744184 0.82 HDAC1 (0.69) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL17055821 0.81 HDAC1 (0.64) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL1683699 0.81 HDAC1 (0.60) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL17055727 0.81 HDAC1 (0.64) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL28321744 0.81 SCN10A (0.62) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL2866244 0.80 HDAC1 (0.71) HDAC1HDAC8HDAC6PDE4BALDH1A1

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
WO-2025110621-A1 NOVEL OXAZOLE-BASED COMPOUND AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING INFLAMMATORY DISEASES COMPRISING SAME 고려대학교 세종산학협력단 2025-05-30 WO disclosed