SCHEMBL8713431

SCHEMBL8713431

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.44
MMP3 P08254 3/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP7 P09237 1/20 0.43
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
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 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
SCHEMBL3050394 0.83 MEN1 (0.49) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL3039559 0.81 NR4A2 (0.55) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7372235 0.81 NR4A2 (0.55) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8710897 0.80 MMP1 (0.36) MMP1MMP3MMP2MMP9MMP8
SCHEMBL25962753 0.80 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL3046435 0.80 NR4A2 (0.54) MMP1MMP3MMP2MMP9MMP8
SCHEMBL9068483 0.80 ADRA2B (0.41) MMP1MMP3MMP2MMP9MMP8
SCHEMBL9068424 0.79 MMP1 (0.39) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8894571 0.77 RIPK1 (0.43) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28784089 0.76 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8

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