SCHEMBL5711357

SCHEMBL5711357

O=C(N[C@@H](CCCCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.60
▸ TGM2 P21980 4/20 0.59
▸ SIRT2 Q8IXJ6 1/20 0.59
▸ SIRT1 Q96EB6 1/20 0.59
▸ CASP1 P29466 4/20 0.58
▸ ITGB3 P05106 3/20 0.58
▸ ITGAV P06756 3/20 0.58
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 1/20 0.55
▸ ECE1 P42892 1/20 0.53
▸ PPARG P37231 1/20 0.52
▸ PPARA Q07869 1/20 0.52

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
SCHEMBL5711236 1.00 FOLH1 (0.60) FOLH1TGM2SIRT2SIRT1CASP1
SCHEMBL8387978 0.94 FOLH1 (0.65) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL10421088 0.91 FOLH1 (0.62) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL1701581 0.90 CTSL (0.65) CASP1CTSLCTSSPPARGPPARA
SCHEMBL1796250 0.90 CTSL (0.65) CASP1CTSLCTSSPPARGPPARA
SCHEMBL2487005 0.90 CTSL (0.65) CASP1CTSLCTSSPPARGPPARA
SCHEMBL7279464 0.89 CTSK (0.55) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL26641195 0.89 FOLH1 (0.60) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL600823 0.89 FOLH1 (0.60) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL19658555 0.89 FOLH1 (0.60) FOLH1TGM2SIRT2SIRT1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 — — EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 — — US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 — — EP disclosed
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