SCHEMBL31249652

SCHEMBL31249652

COC(=O)Cc1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
CTBP2 P56545 1/20 0.60
CYP1A2 P05177 1/20 0.58
POLB P06746 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
MMP13 P45452 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
USP2 O75604 1/20 0.55
SLC7A5 Q01650 1/20 0.55
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL378705 1.00 SMN1; SMN2 (0.61) SMN1; SMN2CTBP2CYP1A2POLBALDH1A1
SCHEMBL4993803 0.89 CTBP2 (0.60) SMN1; SMN2CTBP2CYP1A2POLBALDH1A1
SCHEMBL27424890 0.88 CTBP2 (0.56) SMN1; SMN2CTBP2CYP1A2POLBALDH1A1
SCHEMBL12400239 0.87 SLC7A5 (0.68) SMN1; SMN2ALDH1A1SLC7A5
SCHEMBL4071390 0.85 CTBP2 (0.64) SMN1; SMN2CTBP2CYP1A2POLBALDH1A1
SCHEMBL511950 0.85 POLB (0.56) CTBP2CYP1A2POLBALDH1A1
SCHEMBL4993817 0.85 CTBP2 (0.56) SMN1; SMN2CTBP2CYP1A2POLBALDH1A1
SCHEMBL29640755 0.85 POLB (0.56) CTBP2CYP1A2POLBALDH1A1
SCHEMBL4634509 0.85 SLC7A5 (0.55) SMN1; SMN2CTBP2POLBALDH1A1HTT
SCHEMBL6496853 0.85 POLB (0.59) SMN1; SMN2CTBP2POLBALDH1A1HTT

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-2024245143-A1 USE OF PHARMACEUTICAL COMPOSITION COMPRISING COMPOUND HAVING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE FOR TREATING ANEMIA-RELATED DISEASES 赛诺哈勃药业(成都)有限公司 2024-12-05 WO disclosed