SCHEMBL8848864

SCHEMBL8848864

CCOC(=O)C(CCCCC(NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.62
SIRT1 Q96EB6 7/20 0.62
CTSL P07711 2/20 0.58
CTSS P25774 1/20 0.58
FOLH1 Q04609 2/20 0.57
TGM2 P21980 2/20 0.56
SIRT3 Q9NTG7 3/20 0.55
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGAV P06756 1/20 0.53

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
SCHEMBL8387978 0.91 FOLH1 (0.65) SIRT2SIRT1CTSLCTSSFOLH1
SCHEMBL8953569 0.90 SIRT2 (0.59) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL8953566 0.90 SIRT2 (0.59) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL17694104 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSFOLH1
SCHEMBL11308449 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSFOLH1
SCHEMBL17279329 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSFOLH1
Hydrochloric Acid SCHEMBL10586697 0.89 SIRT2 (0.58) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL10908895 0.89 PRSS1 (0.57) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL10908888 0.89 PRSS1 (0.57) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL31243057 0.89 CTSL (0.57) SIRT2SIRT1CTSLCTSSFOLH1

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-5695737-A CONTRAST MEDIA FOR NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed