SCHEMBL5069201

SCHEMBL5069201

Nc1ccc(CCOC(=O)C=Cc2ccc(OC(=O)c3ccc(OCCCCC(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
MET P08581 7/20 0.37
ALOX5 P09917 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
MAOB P27338 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1565210 1.00 CA12 (0.40) CA12CA1CA4CA9CA6
SCHEMBL1564021 1.00 CA12 (0.40) CA12CA1CA4CA9CA6
SCHEMBL1564685 0.97 CA12 (0.41) CA12CA1CA4CA9CA6
SCHEMBL13720132 0.97 CA12 (0.41) CA12CA1CA4CA9CA6
SCHEMBL679824 0.97 CA12 (0.41) CA12CA1CA4CA9CA6
SCHEMBL1974146 0.97 CA12 (0.41) CA12CA1CA4CA9CA6
Ammonia Solution, Strong SCHEMBL15991542 0.97 CA12 (0.40) CA12CA1CA4CA9CA6
SCHEMBL1564790 0.94 CA12 (0.41) CA12CA1CA4CA9CA6
SCHEMBL1565181 0.93 CA12 (0.37) CA12CA1CA4CA9CA6
SCHEMBL21702567 0.93 CA12 (0.36) CA12CA1CA4CA9CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed