SCHEMBL8489201

SCHEMBL8489201

CC(C)(C)OC[C@H](NCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
HDAC7 Q8WUI4 3/20 0.40
AKT1 P31749 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL8489260 0.86 HDAC7 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3749007 0.78 SMN1; SMN2 (0.46) MMP2MMP9SMN1; SMN2HDAC7POLB
SCHEMBL8490162 0.78 ALDH1A1 (0.51) SMN1; SMN2POLB
SCHEMBL8486107 0.78 HDAC1 (0.45) MMP2MMP9SMN1; SMN2HDAC7HDAC1
SCHEMBL2438598 0.77 SMN1; SMN2 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8490395 0.77 FNTA (0.47) MMP2MMP9SMN1; SMN2HDAC7PKM
SCHEMBL8489619 0.76 CA12 (0.47) MMP2MMP9SMN1; SMN2HDAC7POLB
SCHEMBL3183424 0.76 SMN1; SMN2 (0.41) SMN1; SMN2PKM
SCHEMBL31649054 0.76 AKT1 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL28538006 0.76 AKT1 (0.49) MMP2MMP3MMP9MMP13MMP1

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-1999041242-A1 DI-SUBSTITUTED NAPHTHYL DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-08-19 WO disclosed