SCHEMBL185128

SCHEMBL185128

Cc1cccc(CSCCCCCC(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.35
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
DAO P14920 1/20 0.32
EGFR P00533 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27820058 0.88 GABRA1 (0.42) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL3928826 0.86 GABRA1 (0.49) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL27839580 0.84 EGFR (0.40) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL30865024 0.84 EGFR (0.40) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL2554415 0.84 EGFR (0.40) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL227298 0.84 EGFR (0.40) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL27839575 0.82 EGFR (0.41) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL27330888 0.80 EGFR (0.42) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL9348275 0.80 GABRA1 (0.43) GABRA1GABRB2ALDH1A1TRPA1CA12
SCHEMBL27820049 0.79 GABRA1 (0.44) GABRA1GABRB2ALDH1A1MEN1KMT2A

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
EP-2402390-A1 Particles with a hindered amine light stabilizer and a microporous organic polymer BASF SE (DE) 2012-01-04 EP disclosed