SCHEMBL5307097

SCHEMBL5307097

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.56
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 2/20 0.50
▸ TGM2 P21980 2/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SIRT5 Q9NXA8 2/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL8243065 0.92 MAPT (0.51) PTGER4CTSLCTSSTGM2CTSB
SCHEMBL5303063 0.92 MAPT (0.51) PTGER4CTSLCTSSTGM2CTSB
SCHEMBL5300239 0.87 SIRT2 (0.59) PTGER4CTSLCTSSCTSBCTSK
SCHEMBL8245500 0.87 SIRT2 (0.59) PTGER4CTSLCTSSCTSBCTSK
SCHEMBL29398404 0.86 FOLH1 (0.62) TGM2
SCHEMBL5297597 0.83 MEN1 (0.53) CTSLCTSSCTSBCTSKSIRT5
SCHEMBL8237024 0.83 MEN1 (0.53) CTSLCTSSCTSBCTSKSIRT5
SCHEMBL12082261 0.83 FOLH1 (0.67) TGM2
SCHEMBL5302755 0.82 MAPT (0.59) PTGER4CTSLCTSSCTSBCTSK
SCHEMBL8242070 0.82 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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