SCHEMBL10380630

SCHEMBL10380630

CC(=O)Nc1ccc(OC(=O)c2ccc(CCN3CCOCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ EPHX2 P34913 2/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HIF1A Q16665 1/20 0.52
▸ EPAS1 Q99814 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PRSS1 P07477 1/20 0.47

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
SCHEMBL9837640 0.89 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2MEN1MAPK1HIF1A
SCHEMBL28069120 0.87 KDM4E (0.59) KMT2AEPHX2SMN1; SMN2LMNAMAPT
SCHEMBL65840 0.80 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2MEN1MAPK1LMNA
SCHEMBL9086875 0.80 EPHX2 (0.52) KMT2AEPHX2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10380234 0.79 BTK (0.60) KMT2ASMN1; SMN2MEN1MAPK1MAPT
SCHEMBL11926736 0.77 KDM4E (0.65) EPHX2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12858056 0.76 ALDH1A1 (0.59) KMT2ALMNAMAPTALDH1A1KDM4E
SCHEMBL9837917 0.75 KMT2A (0.68) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL14100178 0.75 EPHX2 (0.50) EPHX2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL4121972 0.75 KMT2A (0.72) KMT2ASMN1; SMN2MEN1MAPK1HIF1A

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
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 — — WO disclosed
Send feedback