SCHEMBL9440460

SCHEMBL9440460

NCCCCNCCCNCC=Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.39
ESR1 P03372 1/20 0.39
CA12 O43570 1/20 0.38
F13A1 P00488 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CA3 P07451 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL11023328 0.97 ESR1 (0.40) GRIA1ESR1CA12F13A1CA1
SCHEMBL30694750 0.95 GRIA1 (0.40) GRIA1ESR1AKR1B10AKR1B1MAOB
SCHEMBL28237281 0.81 PRMT1 (0.48) GRIA1CA12F13A1CA1CA2
SCHEMBL11032133 0.81 PRMT1 (0.50) PAOX
SCHEMBL29176161 0.81 PRMT1 (0.50) PAOX
SCHEMBL28520466 0.80 PRMT1 (0.49) PAOX
SCHEMBL30694747 0.80 PRMT1 (0.49) PAOX
SCHEMBL30423565 0.79 ESR1 (0.36) ESR1CYP1A2AKR1B10AKR1B1MAOB
SCHEMBL30664480 0.78 ESR1 (0.42) GRIA1ESR1AKR1B10AKR1B1MAOB
SCHEMBL3164234 0.77 ESR1 (0.62) GRIA1ESR1APP

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