SCHEMBL8712575

SCHEMBL8712575

COC=C(C(=O)OC)c1ccccc1COCCC=NOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.39
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ICMT O60725 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL8714611 0.84 HIF1A (0.36) HIF1AALDH1A1PKMKMT2AKDM4E
SCHEMBL10535841 0.79 NPSR1 (0.44) ALDH1A1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL10535837 0.79 NPSR1 (0.44) ALDH1A1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL9743097 0.78 KMT2A (0.38) HIF1AALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL8503709 0.78 HIF1A (0.45) HIF1AALDH1A1L3MBTL1
SCHEMBL9742776 0.77 HIF1A (0.45) HIF1ASMN1; SMN2LMNA
SCHEMBL9742771 0.77 HIF1A (0.45) HIF1ASMN1; SMN2LMNA
SCHEMBL8505441 0.76 HIF1A (0.41) HIF1AALDH1A1TDP1L3MBTL1
SCHEMBL8502333 0.76 HIF1A (0.41) HIF1AALDH1A1TDP1L3MBTL1
SCHEMBL9895007 0.74 HIF1A (0.61) HIF1AALDH1A1KMT2ASMN1; SMN2KDM4E

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-0821667-A1 NEW HYDROXIMIC ACID DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-02-04 EP disclosed
WO-1996033164-A1 NEW HYDROXIMIC ACID DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1996-10-24 WO disclosed