SCHEMBL8484695

SCHEMBL8484695

C=C1SC(=O)N(c2ccccc2OCC(CCC2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)NC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.35
ALOX5 P09917 5/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDE4A P27815 1/20 0.31
PDE3A Q14432 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSTO1 P78417 2/20 0.31
PTPN1 P18031 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8485014 0.93 ALOX5 (0.32) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL8484976 0.89 ALOX5 (0.41) ALOX5MEN1KMT2AMAPTTDP1
SCHEMBL8485088 0.88 ALOX5 (0.31) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL8487392 0.84 HTR1A (0.33) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL8488335 0.83 ALOX5 (0.32) PSEN1ALOX5MEN1KMT2AMAPT
SCHEMBL8485596 0.82 ALOX5 (0.39) ALOX5MEN1KMT2AMAPTTDP1
SCHEMBL8488308 0.76 ALOX5 (0.38) ALOX5MEN1KMT2AMAPTTDP1
SCHEMBL8487346 0.76 PSEN1 (0.36) PSEN1ALOX5MEN1KMT2APDE4A
SCHEMBL8486801 0.73 NPC1 (0.34) MEN1KMT2A
SCHEMBL8485114 0.73 MAPT (0.37) ALOX5MEN1KMT2AMAPTTDP1

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-5925656-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-20 US claimed