SCHEMBL3301289

SCHEMBL3301289

CC1c2ccccc2OC(C)(C(=O)OO)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
ABCB1 P08183 1/20 0.34
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL297734 0.83 KCNE1 (0.36) KCNE1KCNQ1ABCB1GAAPKM
SCHEMBL15820172 0.82 ATM (0.40) KCNE1KCNQ1ABCB1GAAATM
SCHEMBL5463297 0.76 LMNA (0.37) KCNE1KCNQ1LMNAMEN1KMT2A
SCHEMBL1963793 0.73 KCNE1 (0.36) KCNE1KCNQ1ABCB1ATMLMNA
SCHEMBL3894061 0.72 KCNE1 (0.35) KCNE1KCNQ1GAALMNAKMT2A
SCHEMBL8800080 0.72 KCNE1 (0.37) KCNE1KCNQ1ABCB1ATMLMNA
Arsenic SCHEMBL8675880 0.71 LMNA (0.34) KCNE1KCNQ1LMNAKMT2AHTT
SCHEMBL27887531 0.69 ATM (0.42) KCNE1KCNQ1ABCB1GAAATM
SCHEMBL11317481 0.69 KCNE1 (0.38) KCNE1KCNQ1ABCB1GAAATM
SCHEMBL17929070 0.68 KCNE1 (0.43) KCNE1KCNQ1ABCB1GAALMNA

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-20100093599-A1 SHINE CONTROL CLEANSER JOHNSON & JOHNSON 2010-04-15 US disclosed