SCHEMBL11685409

SCHEMBL11685409

O=[C]CCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.56
CTSS P25774 4/20 0.56
FOLH1 Q04609 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
TACR1 P25103 1/20 0.52
ITGB3 P05106 6/20 0.52
ITGAV P06756 2/20 0.52
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
ITGA2B P08514 4/20 0.50
SIRT5 Q9NXA8 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
TGM2 P21980 2/20 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
SCHEMBL4280404 0.92 TACR1 (0.54) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL7544219 0.90 CTSS (0.65) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL10421088 0.89 FOLH1 (0.62) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL8387978 0.89 FOLH1 (0.65) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL7363415 0.86 SIRT2 (0.59) CTSLCTSSSIRT2SIRT1TACR1
SCHEMBL7515531 0.85 FOLH1 (0.58) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL6841663 0.85 FOLH1 (0.58) CTSLCTSSFOLH1SIRT2SIRT1
SCHEMBL7291824 0.84 CTSS (0.53) CTSLCTSSCTSBCTSK
SCHEMBL11311383 0.84 CTRB1 (0.48) CTSLCTSSTACR1CTSBCTSK
SCHEMBL19520868 0.84 FOLH1 (0.57) CTSLCTSSFOLH1SIRT2SIRT1

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-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US disclosed