SCHEMBL7665808

SCHEMBL7665808

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1ncco1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.41
CCR1 P32246 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.39
CMA1 P23946 1/20 0.39
CTSL P07711 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL7664353 0.91 CMA1 (0.45) MMP1MMP2MMP3MMP7CMA1
SCHEMBL7665212 0.88 F2 (0.42) CAPN1CCR1MMP2MMP3MMP7
SCHEMBL7670720 0.86 PRSS8 (0.47) CYP3A4CTSS
SCHEMBL7665843 0.85 CTSD (0.41) CAPN1CCR1CTSBCTSKCTSL
SCHEMBL7661080 0.85 CCR1 (0.46) CAPN1CCR1CTSBCTSKCMA1
SCHEMBL5711332 0.85 CAPN1 (0.46) CAPN1CCR1MMP1MMP2MMP3
SCHEMBL7667642 0.83 CMA1 (0.51) CCR1CMA1
SCHEMBL7661632 0.82 F2 (0.43) CAPN1CCR1CTSBCTSKCMA1
SCHEMBL7665870 0.81 CTSD (0.46) CAPN1CCR1CTSBCTSKCMA1
SCHEMBL7661037 0.80 CTSD (0.41) CAPN1CCR1CTSBCTSKCMA1

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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed