SCHEMBL9646002

SCHEMBL9646002

CC(C)(C)c1cc(OC(N)=S)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CA1 P00915 2/20 0.57
ALOX15 P16050 3/20 0.47
MAPT P10636 2/20 0.47
HPN P05981 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
GMNN O75496 2/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL9648998 0.96 CA2 (0.53) CA2CA1ALOX15MAPTHPN
Methane SCHEMBL29200134 0.93 CA2 (0.55) CA2CA1ALOX15MAPTHPN
SCHEMBL9394376 0.82 CA2 (0.59) CA2CA1ALOX15MAPTHPN
SCHEMBL27487685 0.81 CA2 (0.57) CA2CA1ALOX15MAPTHPN
SCHEMBL9732146 0.77 CA2 (0.52) CA2CA1ALOX15MAPTHPN
SCHEMBL28145989 0.76 CA2 (0.61) CA2CA1ALOX15MAPTHPN
SCHEMBL6915867 0.75 CA2 (0.50) CA2CA1ALOX15MAPTHPN
SCHEMBL5082754 0.74 CA2 (0.71) CA2CA1ALOX15MAPTHPN
SCHEMBL16938848 0.74 CA2 (0.59) CA2CA1ALOX15MAPTHPN
SCHEMBL77430 0.74 CA2 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104889-A Angiogenesis inhibiting activity OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1992-04-14 US disclosed
EP-0275312-A1 THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-27 EP disclosed