SCHEMBL9440552

SCHEMBL9440552

CCCC(N)(N)CC=Cc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
GLO1 Q04760 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
APP P05067 4/20 0.40
TYR P14679 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
F3 P13726 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL9440439 0.77 APP (0.53) CA12CA1CA2CA7CA9
SCHEMBL450882 0.72 APP (0.48) ESR1ESR2CA12CA1CA2
SCHEMBL450883 0.72 APP (0.48) ESR1ESR2CA12CA1CA2
SCHEMBL29697102 0.72 BLM (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL9440455 0.72 APP (0.36) ESR1CA12CA1CA2CA7
SCHEMBL12047533 0.72 APP (0.52) ESR1ESR2CA12CA1CA2
SCHEMBL107688 0.72 APP (0.52) ESR1ESR2CA12CA1CA2
SCHEMBL107687 0.72 APP (0.52) ESR1ESR2CA12CA1CA2
SCHEMBL8408465 0.69 TNNC1 (0.47) ESR1CA12CA1CA2CA7
SCHEMBL1888738 0.69 TNNC1 (0.47) ESR1CA12CA1CA2CA7

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-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
US-5059438-A COMPOSITIONS AND METHODS FOR INHIBITING BROWNING IN FOODS USING RESORCINOL DERIVATIVES ENZYTECH, INC. (US) 1991-10-22 US disclosed