SCHEMBL6674337

SCHEMBL6674337

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1.[Na]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.61
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
ACE P12821 1/20 0.56
TSHR P16473 1/20 0.54
LNPEP Q9UIQ6 1/20 0.54
BACE1 P56817 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
MDM4 O15151 1/20 0.51
MDM2 Q00987 1/20 0.51
GRIA1 P42261 1/20 0.51
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL30064651 0.99 CTSL (0.62) CTSLGAARAB9AACETSHR
SCHEMBL3935180 0.99 CTSL (0.62) CTSLGAARAB9AACETSHR
SCHEMBL1796825 0.99 CTSL (0.62) CTSLGAARAB9AACETSHR
SCHEMBL1784498 0.99 CTSL (0.62) CTSLGAARAB9AACETSHR
SCHEMBL3927110 0.94 CTSL (0.58) CTSLGAARAB9AACETSHR
SCHEMBL28790851 0.91 CTSL (0.71) CTSLGAARAB9AACEALDH1A1
SCHEMBL3927028 0.91 CTSL (0.71) CTSLGAARAB9AACEALDH1A1
SCHEMBL27761117 0.90 CTSL (0.62) CTSLGAARAB9AACEALDH1A1
SCHEMBL3928165 0.88 LNPEP (0.67) CTSLGAARAB9AACETSHR
SCHEMBL3928164 0.88 LNPEP (0.67) CTSLGAARAB9AACETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914167-B1 METHOD OF PREVENTING SKIN IRRITATION CAUSED BY FECAL ENZYMES SUED CHEMIE INC (US) 2004-09-22 EP disclosed
EP-0914167-A4 METHOD OF PREVENTING SKIN IRRITATION CAUSED BY FECAL ENZYMES ENVIRODERM PHARMACEUTICALS INC (US) 2001-12-19 EP disclosed
US-6331295-B1 DIAPER RASH, INACTIVATING THE FECAL PROTEOLYTIC ENZYMES BY CONTACT WITH ORGANOPHILIC CLAY IN REACTION PRODUCT WITH A LONG CHAIN ORGANIC QUATERNARY AMMONIUM COMPOUND IN A MATRIX OF A SUPERABSORBENT POLYMER ENVIRODERM PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6051749-A COMPRISING WOWEN OR NON-WOVEN WEB HAVING ORGANIPHILIC CLAY INCORPORATED; FOR PREVENTING AND CONTACT DERMATITIS DUE TO FECAL ENZYMES ENVIRODERM PHARMACEUTICALS INC. (US) 2000-04-18 US disclosed
EP-0914167-A1 METHOD OF PREVENTING SKIN IRRITATION CAUSED BY FECAL ENZYMES Enviroderm Pharmaceuticals, Inc. (US) 1999-05-12 EP disclosed
US-5869033-A CONTACTING SKIN WITH ORGANOPHILIC CLAY, THE REACTION PRODUCT OF NATURAL OR SYNTHETIC CLAY WITH LONG CHAIN ORGANIC QUATERNARY AMMONIUM COMPOUND ENVIRODERM PHARMACEUTICALS,INC. (US) 1999-02-09 US disclosed
WO-1997038735-A1 METHOD OF PREVENTING SKIN IRRITATION CAUSED BY FECAL ENZYMES ENVIRODERM PHARMACEUTICALS, INC. (US) 1997-10-23 WO disclosed