SCHEMBL8356175

SCHEMBL8356175

CC(C)(C)c1cc(C=NCCNCc2ccccc2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
PTGS2 P35354 4/20 0.52
CA12 O43570 5/20 0.43
CA2 P00918 5/20 0.43
HIF1A Q16665 2/20 0.43
CA9 Q16790 4/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MPO P05164 4/20 0.41
SLC6A4 P31645 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8352502 0.81 HIF1A (0.53) ALOX5PTGS2CA12CA2HIF1A
SCHEMBL3998710 0.79 ALOX5 (0.51) ALOX5PTGS2CA2HIF1ATSHR
SCHEMBL29535850 0.79 ALOX5 (0.51) ALOX5PTGS2CA2HIF1ATSHR
SCHEMBL3998711 0.79 ALOX5 (0.51) ALOX5PTGS2CA2HIF1ATSHR
SCHEMBL29785796 0.79 ALOX5 (0.51) ALOX5PTGS2CA2HIF1ATSHR
SCHEMBL8351532 0.78 ALOX5 (0.70) ALOX5PTGS2HIF1ATSHRKDM4E
SCHEMBL3012002 0.78 ALOX5 (0.50) ALOX5PTGS2CA2HIF1ATSHR
SCHEMBL6533683 0.78 ALOX5 (0.50) ALOX5PTGS2CA2HIF1ATSHR
SCHEMBL8345877 0.78 ALOX5 (0.69) ALOX5PTGS2HIF1ATSHRKDM4E
Bromide SCHEMBL3016844 0.76 ALOX5 (0.49) ALOX5PTGS2CA2HIF1ATSHR

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-5998645-A LAUNDERING DETERGENTS; CLEANING COMPOUNDS CLARIANT GMBH (DE) 1999-12-07 US disclosed