SCHEMBL8007724

SCHEMBL8007724

CCOC(=O)C(Cc1cccc(N)c1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL18917606 0.89 MMP8 (0.59) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL27744395 0.86 SMN1; SMN2 (0.43) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL14184715 0.85 EPHX2 (0.51) MMP8MAPK1L3MBTL1TSHRTDP1
SCHEMBL17604992 0.84 ALDH1A1 (0.63) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL4081032 0.84 PPARG (0.44) MMP8SMN1; SMN2
SCHEMBL4334347 0.81 SMN1; SMN2 (0.40) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL20543616 0.81 MMP8 (0.52) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL2672677 0.81 MMP8 (0.56) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL2422171 0.81 MMP8 (0.52) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL5475645 0.81 MMP8 (0.52) MMP8ALDH1A1TP53MAPK1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6099625-A Ink composition ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0823927-A2 INK COMPOSITION ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 WO disclosed