SCHEMBL7995489

SCHEMBL7995489

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
MMP9 P14780 8/20 0.44
MMP2 P08253 7/20 0.44
MMP8 P22894 2/20 0.44
KISS1R Q969F8 3/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP1 P03956 6/20 0.41
MMP3 P08254 6/20 0.41
MMP14 P50281 3/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 1/20 0.41
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
CAPN1 P07384 1/20 0.37

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
SCHEMBL29307827 0.76 ALDH1A1 (0.41) KISS1RALDH1A1
SCHEMBL23901238 0.76 ALDH1A1 (0.42) MMEALDH1A1TDP1
SCHEMBL8000058 0.76 ALDH1A1 (0.43) MMEMMP9MMP2MMP8KISS1R
SCHEMBL23643228 0.73 ALDH1A1 (0.39) MMEALDH1A1TDP1
SCHEMBL14985792 0.73 SLC7A5 (0.48) KISS1RALDH1A1
SCHEMBL5672721 0.72 KISS1R (0.61) MMEMMP9MMP2MMP8KISS1R
SCHEMBL20792907 0.71 ALDH1A1 (0.39) MMEMMP9MMP2MMP8KISS1R
SCHEMBL14804658 0.70 ALDH1A1 (0.36) MMEMMP8KISS1RALDH1A1
SCHEMBL4288816 0.70 MMP2 (0.63) MMEMMP9MMP2MMP8MMP1
SCHEMBL19483401 0.70 ALDH1A1 (0.50) MMEMMP9MMP2MMP8KISS1R

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
WO-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed