SCHEMBL9314970

SCHEMBL9314970

COc1cc(C(=O)O)ccc1SSc1ccc(C(=O)O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA12 O43570 2/20 0.67
CA4 P22748 2/20 0.67
CA6 P23280 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
CA14 Q9ULX7 2/20 0.67
TPMT P51580 2/20 0.67
HTT P42858 2/20 0.62
TSHR P16473 4/20 0.57
LMNA P02545 2/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 1/20 0.56
TTR P02766 2/20 0.54
PKM P14618 2/20 0.53
CA3 P07451 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
PTGS2 P35354 1/20 0.50

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
SCHEMBL21882581 0.87 CA1 (0.65) CA1CA2CA12CA4CA6
SCHEMBL6515876 0.85 LMNA (0.53) CA1CA2CA12CA4CA6
SCHEMBL1987518 0.85 CA1 (0.67) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL114848 0.80 CA12 (1.00) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL976032 0.80 CA12 (1.00) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL29386353 0.80 CA12 (1.00) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL3779944 0.79 CA12 (0.96) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL9513127 0.79 CA12 (0.96) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL28597713 0.79 CA12 (0.96) CA1CA2CA12CA4CA6
Veratric Acid SCHEMBL28276206 0.79 CA12 (0.96) CA1CA2CA12CA4CA6

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-5342724-A Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage EASTMAN KODAK COMPANY (US) 1994-08-30 US claimed
US-5342724-A Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage EASTMAN KODAK COMPANY (US) 1994-08-30 US disclosed