SCHEMBL3877658

SCHEMBL3877658

CCOc1ccc(N2CCN(C(=O)C(CC(C)C)C(O)C(=O)NO)[C@H](C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
ACACB O00763 15/20 0.42
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP9 P14780 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
LTA4H P09960 1/20 0.38
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
NPEPPS P55786 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38

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
SCHEMBL2246311 1.00 MMP2 (0.43) MMP2MMP1MMP8ACACBMAPT
SCHEMBL2249037 0.93 ACACB (0.44) MMP2MMP1MMP8ACACBMAPT
SCHEMBL2246852 0.91 FAAH (0.44) MMP2MMP1MMP8ACACBMAPT
SCHEMBL5339496 0.90 MMP2 (0.43) MMP2MMP1MMP8ACACBMAPT
SCHEMBL5339503 0.90 MMP2 (0.43) MMP2MMP1MMP8ACACBMAPT
SCHEMBL2247431 0.90 MMP2 (0.43) MMP2MMP1MMP8ACACBMAPT
SCHEMBL2250688 0.90 MAPT (0.41) ACACBMAPTALDH1A1ALOX15KMT2A
SCHEMBL2245644 0.89 ACACB (0.44) MMP2MMP1MMP8ACACBMMP9
SCHEMBL2251429 0.88 FAAH (0.42) MMP2MMP1MMP8ACACBALDH1A1
SCHEMBL2250480 0.88 MMP2 (0.42) MMP2MMP1MMP8ACACBMMP9

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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP claimed