SCHEMBL28209573

SCHEMBL28209573

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPT P10636 6/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
AR P10275 1/20 0.43
MEN1 O00255 1/20 0.43
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 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
SCHEMBL6575563 0.90 ALDH1A1 (0.46) LMNAMAPTKMT2AALDH1A1GAA
SCHEMBL27400595 0.85 KMT2A (0.47) LMNAMAPTKMT2APKMKDM4E
Hydrochloric Acid SCHEMBL7986763 0.84 LMNA (0.47) LMNAMAPTCRHBPCRHR2KMT2A
SCHEMBL6575607 0.84 CTSL (0.43) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL28052118 0.82 CA2 (0.54) LMNAMAPTKMT2AMEN1ITGA4
SCHEMBL6891119 0.81 CA2 (0.47) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL4538023 0.81 HDAC1 (0.45) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL4538019 0.81 HDAC1 (0.45) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL7882117 0.81 MMP8 (0.55) KMT2AALDH1A1GAAMEN1
SCHEMBL6952367 0.81 MMP8 (0.55) KMT2AALDH1A1GAAMEN1

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-107935875-A A kind of synthetic method of melphalan 兆科药业(广州)有限公司 2018-04-20 CN disclosed