SCHEMBL7447177

SCHEMBL7447177

CCOC(=O)CC(CN)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SRR Q9GZT4 2/20 0.45
PPID Q08752 1/20 0.44
F10 P00742 1/20 0.44
F2 P00734 1/20 0.43
SLC15A1 P46059 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HPRT1 P00492 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41

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
SCHEMBL18065659 0.91 MMP8 (0.53) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL28240288 0.86 MMP8 (0.49) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL28767197 0.85 MMP8 (0.48) MMP8ALDH1A1TSHRSRRPPID
Hydrochloric Acid SCHEMBL4841802 0.83 ABCB1 (0.46) ALDH1A1SRRMEN1KMT2ANPC1
SCHEMBL1646942 0.81 EPHX1 (0.50) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL1645938 0.81 EPHX1 (0.50) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL23750350 0.80 ACE (0.47) SLC15A1NPC1ALPIPKMPTGS1
SCHEMBL21610480 0.80 ACE (0.47) SLC15A1NPC1ALPIPKMPTGS1
SCHEMBL12268225 0.80 TRPA1 (0.53) MMP8ALDH1A1TSHRSRRPPID
SCHEMBL12446348 0.80 MMP8 (0.51) MMP8ALDH1A1TSHRSRRPPID

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-1998009987-A1 LACTAM INHIBITORS OF THROMBIN BIOCHEM PHARMA, INC. (CA) 1998-03-12 WO disclosed