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SCHEMBL18873807

SCHEMBL18873807

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(COC(=O)NCCCC(O)(O[PH](=O)O)O[PH](=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 4/20 0.50
▸ MMP3 P08254 5/20 0.48
▸ NPY4R P50391 2/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ SIRT2 Q8IXJ6 6/20 0.46
▸ SIRT1 Q96EB6 5/20 0.46
▸ SIRT3 Q9NTG7 3/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ CTSK P43235 1/20 0.45

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
SCHEMBL18873527 0.86 SIRT5 (0.57) SIRT5MMP3NPY4RNPY1RSIRT2
Hydrochloric Acid SCHEMBL18831923 0.85 SIRT5 (0.56) SIRT5MMP3NPY4RNPY1RSIRT2
SCHEMBL18873528 0.80 KDM1A (0.43) SIRT5CTSK
SCHEMBL10784684 0.80 CAPN1 (0.61) NPY4RNPY1RCTSK
SCHEMBL10784713 0.80 CAPN1 (0.61) NPY4RNPY1RCTSK
SCHEMBL18873529 0.79 ITGB1 (0.42) SIRT5MMP3MMP1
SCHEMBL18831940 0.78 SIRT5 (0.60) SIRT5SIRT2SIRT1SIRT3
SCHEMBL18831943 0.78 SIRT5 (0.60) SIRT5SIRT2SIRT1SIRT3
SCHEMBL10787733 0.77 NPY4R (0.61) NPY4RNPY1R
SCHEMBL10787739 0.77 NPY4R (0.61) NPY4RNPY1R

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-9650414-B1 Dual-action EP4 agonist—bisphosphonate conjugates and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-05-16 — — US disclosed
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