SCHEMBL28116071

SCHEMBL28116071

CC(=O)OCC(=O)Oc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 4/20 0.42
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ESR1 P03372 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL8069884 0.87 LMNA (0.55) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL8069859 0.84 LMNA (0.62) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL15708410 0.84 KMT2A (0.48) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL8068275 0.84 LMNA (0.44) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL9949502 0.84 PARP10 (0.43) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL15726676 0.82 KMT2A (0.52) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL8069813 0.82 KMT2A (0.50) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL2907355 0.81 ALDH1A1 (0.50) LMNAMAPTALDH1A1KMT2AHSD17B10
SCHEMBL28905911 0.81 LMNA (0.50) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL2574111 0.81 KMT2A (0.44) LMNAMAPTALDH1A1KMT2AHTT

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-106278925-B A kind of preparation method of Antirheumatic Drug Actarit 平光制药股份有限公司 2019-01-25 CN disclosed
CN-106278925-A A kind of preparation method of Antirheumatic Drug Actarit 平光制药股份有限公司 2017-01-04 CN disclosed