SCHEMBL11548892

SCHEMBL11548892

CC(C)(C)Oc1ccc2c(C(=O)c3ccccc3)c(-c3ccccc3)[s+]([O-])c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 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
SCHEMBL11547555 0.87 PPARG (0.38) ELANENPSR1PPARGMAPTPPARA
SCHEMBL11548550 0.87 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11547540 0.85 ALDH1A1 (0.43) ELANEMEN1KMT2AMAPTALDH1A1
SCHEMBL11551934 0.84 MAPK1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11552140 0.83 CNR1 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11548482 0.83 CNR1 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11552086 0.82 LMNA (0.44) KMT2APPARALMNAMAPK1
SCHEMBL11550006 0.82 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11548419 0.81 MAPK1 (0.50) KMT2ANPSR1MAPTALDH1A1LMNA
SCHEMBL11549202 0.81 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA

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-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed