SCHEMBL9068424

SCHEMBL9068424

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.39
MMP3 P08254 3/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP7 P09237 1/20 0.38
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
NR4A2 P43354 1/20 0.36
MMP13 P45452 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL9067940 0.85 MMP1 (0.32) MMP1MMP3MMP2MMP9MMP8
SCHEMBL8713431 0.79 MMP1 (0.44) MMP1MMP3MMP2MMP9MMP8
SCHEMBL19961863 0.75 SMN1; SMN2 (0.48) MMP8SLC6A2ALDH1A1
SCHEMBL3039559 0.74 NR4A2 (0.55) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7372235 0.74 NR4A2 (0.55) MMP1MMP3MMP2MMP9MMP8
SCHEMBL9069940 0.73 CTSK (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25962753 0.73 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL3046435 0.73 NR4A2 (0.54) MMP1MMP3MMP2MMP9MMP8
SCHEMBL28784090 0.72 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL28784089 0.72 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-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5525591-A HUMAN OR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed