SCHEMBL9394376

SCHEMBL9394376

CC(=S)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.59
CA1 P00915 2/20 0.59
ALOX15 P16050 3/20 0.48
MAPT P10636 2/20 0.48
HPN P05981 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.40
GALR3 O60755 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9646002 0.82 CA2 (0.57) CA2CA1ALOX15MAPTHPN
Methane SCHEMBL29200134 0.80 CA2 (0.55) CA2CA1ALOX15MAPTHPN
SCHEMBL77430 0.80 CA2 (0.59) CA2CA1ALOX15MAPTHPN
SCHEMBL9648998 0.79 CA2 (0.53) CA2CA1ALOX15MAPTHPN
SCHEMBL28145989 0.78 CA2 (0.61) CA2CA1ALOX15MAPTHPN
SCHEMBL6915867 0.77 CA2 (0.50) CA2CA1ALOX15MAPTHPN
SCHEMBL5082754 0.76 CA2 (0.71) CA2CA1ALOX15MAPTHPN
SCHEMBL16938848 0.76 CA2 (0.59) CA2CA1ALOX15MAPTHPN
SCHEMBL27487685 0.74 CA2 (0.57) CA2CA1ALOX15MAPTHPN
Methane SCHEMBL4563808 0.74 CA2 (0.52) CA2CA1ALOX15MAPTHPN

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
WO-1994019358-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1994-09-01 WO disclosed