SCHEMBL8619704

SCHEMBL8619704

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(NC(N)=O)cc1)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PPARG P37231 1/20 0.54
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ALOX5 P09917 4/20 0.44
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.41
GSTP1 P09211 1/20 0.41
TTPA P49638 1/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8003203 0.85 MAPT (0.64) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL7986932 0.84 MAPT (0.61) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL8620604 0.81 KMT2A (0.50) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9632107 0.81 MAPT (0.60) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9559157 0.80 MAPT (0.47) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL8615056 0.80 MAPT (0.48) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL7492850 0.80 MAPT (0.59) MAPTMEN1KMT2ATDP1PPARG
Hydrochloric Acid SCHEMBL9075198 0.80 MAPT (0.47) MAPTMEN1KMT2ATDP1PPARG
Iodide SCHEMBL9223622 0.80 MAPT (0.47) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL8173098 0.79 MEN1 (0.50) MAPTMEN1KMT2ATDP1PPARG

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-5747528-A Chroman derivatives as anti-oxidants WARNER-LAMBERT COMPANY (US) 1998-05-05 US disclosed