SCHEMBL8488308

SCHEMBL8488308

C=C1SC(=O)N(c2ccccc2OCC(CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)NCC)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.36
LMNA P02545 2/20 0.33
GSTP1 P09211 1/20 0.33
TTPA P49638 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1I2 O75469 2/20 0.33

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
SCHEMBL8485596 0.93 ALOX5 (0.39) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8485088 0.89 ALOX5 (0.31) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8484976 0.87 ALOX5 (0.41) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8487549 0.83 ALOX5 (0.40) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8485014 0.82 ALOX5 (0.32) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8485114 0.82 MAPT (0.37) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8484695 0.76 PSEN1 (0.35) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8487812 0.74
SCHEMBL8487392 0.72 HTR1A (0.33) ALOX5MAPTMEN1KMT2ATDP1
SCHEMBL8488335 0.72 ALOX5 (0.32) ALOX5MAPTMEN1KMT2ATDP1

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 disclosed