SCHEMBL7681875

SCHEMBL7681875

CC=CC(=O)OCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
APP P05067 4/20 0.40
MET P08581 9/20 0.39
AKR1B10 O60218 3/20 0.37
AKR1B1 P15121 3/20 0.37
CA12 O43570 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
HTR7 P34969 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3951413 0.94 MET (0.41) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL22129610 0.86 APP (0.49) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL21693917 0.85 APP (0.42) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL3956215 0.83 MET (0.36) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL3949048 0.82 SMN1; SMN2 (0.39) APPSMN1; SMN2
SCHEMBL20494449 0.82 NPC1 (0.34) METAKR1B10AKR1B1CA12CA4
SCHEMBL5693426 0.81 FFAR4 (0.33) ALOX5APPCYP3A4MEN1LMNA
SCHEMBL25409102 0.81 APP (0.36) ALOX5APPMETAKR1B10AKR1B1
SCHEMBL5693422 0.81 RAF1 (0.32) ALOX5APPMEN1LMNAKMT2A
SCHEMBL7144226 0.81 ALOX5 (0.35) ALOX5METAKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed