SCHEMBL8713433

SCHEMBL8713433

CC(C)C[C@@H](C(=O)CC(O)C(=O)O)N(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.44
MMP3 P08254 3/20 0.44
NR4A2 P43354 1/20 0.43
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 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
SCHEMBL3039559 0.84 NR4A2 (0.55) MMP1MMP3NR4A2MMP2MMP7
SCHEMBL7372235 0.84 NR4A2 (0.55) MMP1MMP3NR4A2MMP2MMP7
SCHEMBL8710905 0.84 MMP1 (0.35) MMP1MMP3NR4A2MMP2MMP7
SCHEMBL3050396 0.83 KMT2A (0.49) MMP1MMP3ADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL3046435 0.83 NR4A2 (0.54) MMP1MMP3NR4A2MMP2MMP7
SCHEMBL25962753 0.80 MMP1 (0.50) MMP1MMP3NR4A2MMP2MMP7
SCHEMBL8707488 0.79 CTSK (0.53) ALDH1A1
SCHEMBL8894581 0.78 MEN1 (0.42) MMP2MMP9MMP8ADRA2BADRA2C
SCHEMBL28784090 0.76 MMP1 (0.50) MMP1MMP3MMP2MMP7MMP9
SCHEMBL28784089 0.76 MMP1 (0.50) MMP1MMP3MMP2MMP7MMP9

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
US-5821222-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5529984-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed