SCHEMBL31347273

SCHEMBL31347273

CCOC(=O)c1ccc(-c2ccc(OCCOC(C)=O)c(I)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL25747870 0.86 XDH (0.38) L3MBTL1LMNAHPGDHTTMAPT
SCHEMBL382102 0.85 PDGFRB (0.44) PDGFRBPDGFRATDP1L3MBTL1CA12
SCHEMBL25040484 0.85 PDE4A (0.50) PTPN11
SCHEMBL27158932 0.80 PTPN11 (0.44) PDGFRBPDGFRATDP1L3MBTL1CA12
SCHEMBL27158845 0.80 PTPN11 (0.46) PDGFRBPDGFRATDP1L3MBTL1CA12
SCHEMBL23499617 0.79 MMP3 (0.44) HRH3MAPT
SCHEMBL27337657 0.79 RARB (0.40) PDGFRBPDGFRATDP1L3MBTL1KCNH2
SCHEMBL27686787 0.78 L3MBTL1 (0.46) TDP1L3MBTL1CA12CA1CA2
SCHEMBL31347271 0.76 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL17858775 0.76 HSD17B2 (0.51) TDP1L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119335104-A Method for detecting related substances in Qu Faluo-containing bulk drug 上海瑞替诺医药科技有限公司 2025-01-21 CN claimed
CN-119335104-A Method for detecting related substances in Qu Faluo-containing bulk drug 上海瑞替诺医药科技有限公司 2025-01-21 CN disclosed