SCHEMBL8828537

SCHEMBL8828537

CCCCCCC(O)/C=C/C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
BACE1 P56817 1/20 0.66
TRPA1 O75762 1/20 0.56
DDAH1 O94760 1/20 0.56
GAPDH P04406 1/20 0.56
MAPT P10636 1/20 0.56
PPARG P37231 2/20 0.54
GPR132 Q9UNW8 1/20 0.54
GPR84 Q9NQS5 3/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 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
SCHEMBL8985063 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL9682174 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8828538 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8985065 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL9682170 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL7077273 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL7077271 1.00 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL2494373 0.98 ACHE (0.68) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL2494371 0.98 ACHE (0.68) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8090945 0.92 ACHE (0.76) ACHEBACE1TRPA1DDAH1GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11060079-B2 Methods and microorganisms for producing flavors and fragrance chemicals ARDRA INC. (CA) 2021-07-13 US disclosed
US-20190177713-A1 METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS ARDRA INC. (CA) 2019-06-13 US disclosed
EP-3478848-A2 METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS Ardra Bio Inc. (US) 2019-05-08 EP disclosed
WO-2018005806-A2 METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS ARDRA BIO INC. (US) 2018-01-04 WO disclosed
US-5679341-A Botcinol: a natural product herbicide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1997-10-21 US disclosed
US-5679341-A Botcinol: a natural product herbicide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1997-10-21 US disclosed