SCHEMBL9440455

SCHEMBL9440455

CCC(CC=Cc1ccc(O)cc1)C(N)(N)CC=Cc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.36
HTR2A P28223 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
MAOB P27338 1/20 0.33
PTGS2 P35354 1/20 0.33
GLO1 Q04760 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL108171 0.73 APP (0.46) APPHTR2ALMNAGAASMN1; SMN2
SCHEMBL108172 0.73 APP (0.46) APPHTR2ALMNAGAASMN1; SMN2
SCHEMBL105714 0.73 APP (0.42) APPHTR2ALMNACA12CA1
SCHEMBL105715 0.73 APP (0.42) APPHTR2ALMNACA12CA1
SCHEMBL9440552 0.72 ESR1 (0.42) APPLMNAGAASMN1; SMN2CA12
SCHEMBL29697102 0.68 BLM (0.54) APPGAACA12CA1CA2
SCHEMBL107688 0.67 APP (0.52) APPLMNAGAASMN1; SMN2CA12
SCHEMBL12047533 0.67 APP (0.52) APPLMNAGAASMN1; SMN2CA12
SCHEMBL107687 0.67 APP (0.52) APPLMNAGAASMN1; SMN2CA12
SCHEMBL13659132 0.67 HTR2A (0.37) APPHTR2ALMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514467-B1 COMPOSITIONS AND METHODS FOR INHIBITING BROWNING IN FOODS OPTA FOOD INGREDIENTS INC (US) 1994-08-10 EP disclosed
US-5304679-A Using an aromatic oxyamide OPTA FOOD INGREDIENTS, INC. (US) 1994-04-19 US disclosed
EP-0514467-A1 COMPOSITIONS AND METHODS FOR INHIBITING BROWNING IN FOODS. OPTA FOOD INGREDIENTS INC (US) 1992-11-25 EP disclosed
US-5059438-A COMPOSITIONS AND METHODS FOR INHIBITING BROWNING IN FOODS USING RESORCINOL DERIVATIVES ENZYTECH, INC. (US) 1991-10-22 US disclosed
WO-1991011119-A1 COMPOSITIONS AND METHODS FOR INHIBITING BROWNING IN FOODS OPTA FOOD INGREDIENTS, INC. (US) 1991-08-08 WO disclosed