SCHEMBL30458017

SCHEMBL30458017

O=CC(=O)Nc1ccccc1C(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
KMT2A Q03164 3/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL12443094 0.82 LMNA (0.61) LMNAKMT2ATSHRALDH1A1TP53
SCHEMBL7121916 0.78 SMN1; SMN2 (0.77) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL10992690 0.77 SMN1; SMN2 (0.58) LMNAKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL10986478 0.77 LMNA (0.55) LMNAKMT2ATSHRALDH1A1TP53
SCHEMBL27769249 0.76 EPHX2 (0.66) LMNAKMT2ATSHRALDH1A1GAA
SCHEMBL6805649 0.75 LMNA (0.56) LMNAKMT2ATSHRALDH1A1TP53
SCHEMBL1662914 0.75 GAA (0.59) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL7445242 0.73 KMT2A (0.59) LMNAKMT2ATSHRALDH1A1TP53
SCHEMBL10838817 0.73 SMN1; SMN2 (0.56) LMNAKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL20267430 0.72 GAA (0.73) KMT2ATSHRALDH1A1TP53GAA

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-107001744-B Low molecular weight graft polymers for scale inhibitors 赫尔克里士有限公司 2023-06-16 CN disclosed