SCHEMBL5300239

SCHEMBL5300239

CCOC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.59
▸ SIRT1 Q96EB6 5/20 0.59
▸ PTGER4 P35408 2/20 0.58
▸ CTSL P07711 3/20 0.57
▸ CTSS P25774 2/20 0.57
▸ CTSB P07858 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ SIRT3 Q9NTG7 3/20 0.54

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
SCHEMBL8245500 1.00 SIRT2 (0.59) SIRT2SIRT1PTGER4CTSLCTSS
SCHEMBL5298109 0.94 SIRT2 (0.54) SIRT2SIRT1PTGER4CTSLCTSS
SCHEMBL8242759 0.92 MAPT (0.54) SIRT2SIRT1PTGER4CTSLCTSS
SCHEMBL5303739 0.92 MAPT (0.54) SIRT2SIRT1PTGER4CTSLCTSS
SCHEMBL29480462 0.88 CTSL (0.66) CTSLCTSSCTSBCTSK
SCHEMBL8243061 0.88 POLB (0.50) SIRT2SIRT1PTGER4CTSLCTSS
SCHEMBL5309251 0.88 POLB (0.50) SIRT2SIRT1PTGER4CTSLCTSS
SCHEMBL5302755 0.87 MAPT (0.59) PTGER4CTSLCTSSCTSBCTSK
SCHEMBL5307097 0.87 PTGER4 (0.56) PTGER4CTSLCTSSCTSBCTSK
SCHEMBL8242070 0.87 MAPT (0.59) PTGER4CTSLCTSSCTSBCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 — — WO claimed
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 — — WO disclosed
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