SCHEMBL8090945

SCHEMBL8090945

CCCCC(O)C=CC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.76
BACE1 P56817 1/20 0.76
TRPA1 O75762 1/20 0.50
DDAH1 O94760 1/20 0.50
GAPDH P04406 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 2/20 0.45
FPR2 P25090 2/20 0.45
GPR132 Q9UNW8 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
OXER1 Q8TDS5 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL8828842 1.00 ACHE (0.76) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL2494373 0.94 ACHE (0.68) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL2494371 0.94 ACHE (0.68) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL7077271 0.92 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8985065 0.92 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8828538 0.92 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL7077273 0.92 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8985063 0.92 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL9682170 0.92 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8828537 0.92 ACHE (0.66) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487150-B1 PROCESS FOR PRODUCING A LACTONE KAO CORP (JP) 2016-12-28 EP disclosed
EP-0758361-B1 POLYMERISABLE COMPOSITION AND THE USE THEREOF NOVARTIS AG (CH) 2000-11-15 EP disclosed
US-5852126-A Polymerisable composition and the use thereof NOVARTIS AG (CH) 1998-12-22 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
EP-0758361-A1 POLYMERISABLE COMPOSITON AND THE USE THEREOF Novartis AG (CH) 1997-02-19 EP disclosed
WO-1995029959-A1 POLYMERISABLE COMPOSITON AND THE USE THEREOF CIBA-GEIGY AG (CH) 1995-11-09 WO disclosed
US-5455221-A Biodegragable culture product of Botrytis cinerea; plant growth regulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1995-10-03 US disclosed
US-5455221-A Biodegragable culture product of Botrytis cinerea; plant growth regulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1995-10-03 US disclosed