SCHEMBL7041841

SCHEMBL7041841

O=C(CCOc1ccccc1-c1ccccc1)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.63
KDM4E B2RXH2 9/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.52
ADRB2 P07550 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL8664028 0.92 LMNA (0.58) MMP3KDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL7036402 0.91 HDAC2 (0.63) MMP3KDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL30179531 0.90 HDAC1 (0.66) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL620996 0.86 KDM4E (0.57) KDM4ESMN1; SMN2HTTALDH1A1TP53
SCHEMBL7041403 0.84 L3MBTL1 (0.64) KDM4ESMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL4907668 0.82 KDM4E (0.59) KDM4ESMN1; SMN2HTTALDH1A1TP53
SCHEMBL28439445 0.79 FFAR4 (0.67) KDM4ESMN1; SMN2HTTALDH1A1TP53
SCHEMBL156467 0.78 KDM4E (0.58) KDM4ESMN1; SMN2HTTALDH1A1TP53
SCHEMBL8660737 0.78 KDM4E (0.62) KDM4ESMN1; SMN2HTTALDH1A1TP53
SCHEMBL7044763 0.78 MMP3 (1.00) MMP3HDAC3HDAC4HDAC1HDAC7

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-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed