SCHEMBL669455

SCHEMBL669455

C=CC(=O)C=C(c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA6 P23280 1/20 0.50
PARP1 P09874 1/20 0.48
KDM4E B2RXH2 3/20 0.46
EGLN2 Q96KS0 1/20 0.46
ALDH1A1 P00352 2/20 0.44
FASN P49327 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CHRNA7 P36544 2/20 0.41
P4HB P07237 2/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP3K7 O43318 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
SCHEMBL3433489 0.80 CA12 (0.44) CA12CA2CA9CA1CA6
SCHEMBL16502 0.79 AKT1 (0.56) CA12CA2CA9CA1CA6
SCHEMBL27810318 0.77 AKT1 (0.59) CA12CA2CA9CA1CA6
SCHEMBL30495832 0.77 AKT1 (0.59) CA12CA2CA9CA1CA6
SCHEMBL11209301 0.74 CA12 (0.53) CA12CA2CA9CA1CA6
3-Hydroxybenzoic Acid SCHEMBL6290193 0.74 CA12 (0.77) CA12CA2CA9CA1CA6
SCHEMBL6691216 0.74 CA12 (0.53) CA12CA2CA9CA1CA6
SCHEMBL23639661 0.73 CA12 (0.52) CA12CA2CA9CA1CA6
Resorcinol SCHEMBL3169423 0.70 CA12 (0.57) CA12CA2CA9CA1CA6
Resorcinol SCHEMBL29372229 0.70 CA12 (0.57) CA12CA2CA9CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847318-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES Marrone Bio Innovations, Inc. (US) 2015-03-18 EP claimed
WO-2013138398-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES MARRONE BIO INNOVATIONS, INC. (US) 2013-09-19 WO claimed
EP-2606021-A2 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS The University of Tokyo (JP) 2013-06-26 EP disclosed
WO-2012024282-A2 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS SHIH CHARLES C-Y (US) 2012-02-23 WO disclosed