SCHEMBL7872435

SCHEMBL7872435

COc1cc(C(C#N)NC(=O)CCC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
F10 P00742 3/20 0.47
PRSS1 P07477 3/20 0.47
F7 P08709 3/20 0.47
PRSS2 P07478 1/20 0.47
F3 P13726 1/20 0.47
PRSS3 P35030 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SGMS2 Q8NHU3 1/20 0.46
MTNR1A P48039 2/20 0.45

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
SCHEMBL7872437 0.77 SGMS2 (0.54) ALDH1A1GAAKDM4ESGMS2
SCHEMBL7868991 0.77 NPC1 (0.51) F2F10PRSS1F7PRSS2
SCHEMBL7865912 0.74 CYP1A2 (0.51) KMT2AHDAC1HDAC8
SCHEMBL30839672 0.74 MTNR1A (0.53) F2F10PRSS1F7PRSS2
SCHEMBL5687942 0.73 KMT2A (0.59) KMT2AMEN1GAAMTNR1AMTNR1B
SCHEMBL10826668 0.73 NPC1 (0.47) F2F10PRSS1F7PRSS2
Hydrochloric Acid SCHEMBL5742387 0.73 NPC1 (0.50) F2F10PRSS1F7PRSS2
Hydrochloric Acid SCHEMBL5742389 0.73 NPC1 (0.50) F2F10PRSS1F7PRSS2
SCHEMBL9808697 0.73 HPGD (0.59) F2F10PRSS1F7PRSS2
SCHEMBL5685487 0.72 KMT2A (0.52) SMN1; SMN2KMT2AMTNR1AMTNR1BAPP

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
EP-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 WO disclosed