SCHEMBL6851693

SCHEMBL6851693

CC(C)(C)c1cc(C(C)(C)C)c(O)c(S([O])(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 3/20 0.41
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 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
SCHEMBL6851698 0.85 CA2 (0.43) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL4896816 0.83 CA2 (0.42) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL35141 0.79 CA2 (0.67) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL6858523 0.77 ERN1 (0.41) ALDH1A1SMN1; SMN2GABBR2GABBR1GABRA1
SCHEMBL29226791 0.76 CA2 (0.47) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL8986512 0.74 CA2 (0.61) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL29226894 0.74 HSP90AA1 (0.47) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL29226877 0.74 CA2 (0.45) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL397105 0.74 HSP90AA1 (0.54) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL3248393 0.74 CA2 (0.48) CA2CA1HSP90AA1ALDH1A1SMN1; SMN2

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-6783913-B2 POLYMERIC ACETAL RESIN CONTAINS UNITS (A), (B), (C), (D), AND (E). UNIT (A) IS A VINYL ALCOHOL UNIT. UNIT; (B) IS A POLYVINYL ACETAL UNIT CONTAINING AN R GROUP, WHERE R IS HYDROGEN, AN ALIPHATIC GROUP, AN AROMATIC GROUP, OR AN KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US claimed
US-20030198887-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing EASTMAN KODAK COMPANY 2003-10-23 US claimed