SCHEMBL29262005

SCHEMBL29262005

C=C(C(=O)OC(C)(C)C)c1ccccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ELANE P08246 2/20 0.33
PRTN3 P24158 1/20 0.33
ERN1 O75460 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33

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
SCHEMBL3807002 0.88 MEN1 (0.34) MEN1KMT2ATDP1LMNATHRB
SCHEMBL26695691 0.82 LMNA (0.40) MEN1KMT2ATDP1LMNATHRB
SCHEMBL97166 0.80 MEN1 (0.41) MEN1KMT2ATDP1LMNATHRB
SCHEMBL28079344 0.79 HPGD (0.39) MEN1KMT2ATDP1HTTATM
SCHEMBL5934008 0.79 LMNA (0.46) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL28757976 0.78 CES2 (0.46) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL27966648 0.78 PTPN2 (0.40) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL28192380 0.78 ALDH1A1 (0.47) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL27792680 0.78 NPC1 (0.51) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL4230070 0.76 MAPT (0.49) KMT2ATDP1HTTATMNPC1

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-118290327-A Preparation method of rasidipine Chinese pharmacopoeia impurity 3 上海奥博生物医药股份有限公司 2024-07-05 CN disclosed
CN-118290326-A Preparation method of rasidipine Chinese pharmacopoeia impurity 1 上海奥博生物医药股份有限公司 2024-07-05 CN disclosed