SCHEMBL11549453

SCHEMBL11549453

CC(C)(C)Oc1ccc(C(=O)c2c(-c3ccc(O)cc3)[s+]([O-])c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 4/20 0.36
EYA3 Q99504 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PPARG P37231 3/20 0.34
SLC22A12 Q96S37 1/20 0.34
PTPN1 P18031 1/20 0.34
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 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
SCHEMBL11551236 1.00 ELANE (0.39) ELANEMEN1LMNAMAPTRAB9A
SCHEMBL11547555 0.92 PPARG (0.38) ELANEMAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL11547801 0.87 CNR2 (0.47) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL11551463 0.87 CNR2 (0.47) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL11552089 0.87 LMNA (0.47) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL11548819 0.86 ELANE (0.46) ELANEMEN1LMNAMAPTRAB9A
SCHEMBL11552101 0.84 LMNA (0.41) LMNAMAPTRAB9AKMT2ACYP2C9
SCHEMBL11547256 0.84 MAPT (0.39) ELANEMEN1MAPTKMT2ACYP2C9
SCHEMBL11553065 0.83 MEN1 (0.50) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL11548807 0.83 LMNA (0.46) MEN1LMNAMAPTRAB9AKMT2A

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