SCHEMBL18831940

SCHEMBL18831940

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 5/20 0.60
▸ SIRT2 Q8IXJ6 13/20 0.58
▸ SIRT1 Q96EB6 12/20 0.58
▸ SIRT3 Q9NTG7 3/20 0.58
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50

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
SCHEMBL18831943 1.00 SIRT5 (0.60) SIRT5SIRT2SIRT1SIRT3F2
SCHEMBL18873527 0.92 SIRT5 (0.57) SIRT5SIRT2SIRT1SIRT3
SCHEMBL30527290 0.92 SIRT5 (0.62) SIRT5SIRT2SIRT1SIRT3F2
SCHEMBL25932816 0.92 SIRT5 (0.62) SIRT5SIRT2SIRT1SIRT3F2
Hydrochloric Acid SCHEMBL18831923 0.92 SIRT5 (0.56) SIRT5SIRT2SIRT1SIRT3
SCHEMBL2268022 0.87 SIRT5 (0.57) SIRT5SIRT2SIRT1SIRT3F2
Hydrochloric Acid SCHEMBL10884941 0.86 SIRT5 (0.56) SIRT5SIRT2SIRT1SIRT3F2
SCHEMBL18099943 0.86 SIRT2 (0.58) SIRT5SIRT2SIRT1SIRT3
SCHEMBL18099942 0.86 SIRT2 (0.58) SIRT5SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL10943848 0.86 SIRT5 (0.56) SIRT5SIRT2SIRT1SIRT3F2

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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