SCHEMBL7786865

SCHEMBL7786865

C=CC(=O)C=C(c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL1490910 0.82 CES2 (0.52) CA1CA2ALDH1A1MAPTRAB9A
SCHEMBL632165 0.77 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL8746176 0.76 LMNA (0.59) CA1CA2CA12CA7CA9
Ethylene SCHEMBL8070484 0.76 CA1 (0.73) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.76 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL23600 0.76 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL1681375 0.75 ALDH1A1 (0.52) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL16502 0.75 AKT1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL1490975 0.75 EPHX2 (0.44) ALDH1A1TSHRKMT2ARAB9AGAA
Water SCHEMBL22720573 0.73 CA1 (0.76) CA1CA2CA12CA7CA9

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-1140787-A1 CROSSLINKERS BASED ON DIBENZALACETONE DERIVATIVES Eastman Chemical Company (US) 2001-10-10 EP claimed
WO-2000035854-A1 CROSSLINKERS BASED ON DIBENZALACETONE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2000-06-22 WO claimed
EP-1140787-A1 CROSSLINKERS BASED ON DIBENZALACETONE DERIVATIVES Eastman Chemical Company (US) 2001-10-10 EP disclosed
US-6194615-B1 USEFUL AS CROSSLINKERS IN COATINGS APPLICATIONS EASTMAN CHEMICAL COMPANY 2001-02-27 US disclosed
WO-2000035854-A1 CROSSLINKERS BASED ON DIBENZALACETONE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2000-06-22 WO disclosed