SCHEMBL10087282

SCHEMBL10087282

CC(C)C[C@H](NC(=O)[C@@H](C)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.60
MMP2 P08253 2/20 0.57
MMP7 P09237 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57
ACE P12821 5/20 0.56
CPA1 P15085 3/20 0.56
ACE2 Q9BYF1 2/20 0.56
TSHR P16473 1/20 0.55
CPA2 P48052 1/20 0.54
CPA4 Q9UI42 1/20 0.54
MMP3 P08254 3/20 0.53

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
SCHEMBL19762064 0.89 KMT2A (0.55) MMEMMP2CPA1TSHRCPA2
SCHEMBL19762061 0.89 ALDH1A1 (0.66) TSHR
SCHEMBL2606643 0.89 ALDH1A1 (0.66) TSHR
SCHEMBL21261666 0.89 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL21244271 0.89 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL21244270 0.89 MME (0.58) MMEMMP2MMP7MMP9MMP12
SCHEMBL17948648 0.88 CPA1 (0.63) MMEMMP2MMP7MMP9MMP12
SCHEMBL7382794 0.88 ACE (0.74) MMEACECPA1ACE2
SCHEMBL17948645 0.88 LTA4H (0.58) MMEMMP2MMP7MMP9MMP12
Hydrochloric Acid SCHEMBL19741504 0.87 LTA4H (0.57) MMEMMP2MMP7MMP9MMP12

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
US-8207127-B2 Compounds for enzyme inhibition ONYX TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed