SCHEMBL30585652

SCHEMBL30585652

CCN(c1ccc(C(=O)Cl)cc1)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.38
RXRB P28702 4/20 0.38
RXRG P48443 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NR3C2 P08235 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
ESR1 P03372 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL8747696 0.81 LMNA (0.52) ALDH1A1CYP2C19KMT2ALMNATDP1
SCHEMBL14240061 0.80 NR3C2 (0.57) L3MBTL1NR3C2HSD11B1ALDH1A1HPGD
SCHEMBL9659082 0.79 LMNA (0.50) ALDH1A1CYP2C19KMT2ALMNATDP1
SCHEMBL2492611 0.73 HTT (0.61) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3487234 0.72 ESR1 (0.44) L3MBTL1ESR1LMNATDP1SMN1; SMN2
SCHEMBL10451127 0.72 PSIP1 (0.50) HSD11B1ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL2121312 0.72 MAPT (0.54) L3MBTL1HSD11B1ALDH1A1HPGDMEN1
SCHEMBL3229040 0.72 ALDH1A1 (0.65) L3MBTL1HSD11B1ALDH1A1HPGDESR1
SCHEMBL24850709 0.71 ADRA2A (0.46) L3MBTL1ALDH1A1HPGDESR1MEN1
SCHEMBL23247969 0.71 ADRA2A (0.46) L3MBTL1ALDH1A1HPGDMEN1HSP90AA1

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
CN-116640317-A Sulfonated chitosan/poly 3, 4-ethylenedioxythiophene material and preparation method and application thereof 广东省大湾区华南理工大学聚集诱导发光高等研究院 2023-08-25 CN disclosed