SCHEMBL8484530

SCHEMBL8484530

CNC(CON1C(=O)SC(Cc2ccccc2)C1=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 7/20 0.39
NR1I2 O75469 2/20 0.36
LMNA P02545 2/20 0.35
GSTP1 P09211 1/20 0.35
TTPA P49638 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 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
SCHEMBL8487391 0.93 ALOX5 (0.41) PPARGMAPTMEN1KMT2ATDP1
SCHEMBL8484773 0.90 MAPT (0.33) PPARGMAPTMEN1KMT2ATDP1
SCHEMBL8487346 0.83 PSEN1 (0.36) PPARGMAPTMEN1KMT2ATDP1
SCHEMBL8487252 0.83 MAPT (0.32) PPARGMAPTMEN1KMT2ATDP1
SCHEMBL8488203 0.80 KDM4E (0.34) PPARGMAPT
SCHEMBL8486948 0.73 MAPT (0.44) PPARGMAPTLMNACYP2C9CYP2C19
SCHEMBL8487799 0.72 KDM4E (0.33) MAPT
SCHEMBL10281136 0.72 MAPT (0.59) PPARGMAPTMEN1KMT2ATDP1
SCHEMBL11925102 0.71 MAPT (0.57) PPARGMAPTMEN1KMT2ATDP1
SCHEMBL8485596 0.71 ALOX5 (0.39) PPARGMAPTMEN1KMT2ATDP1

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