SCHEMBL9149388

SCHEMBL9149388

CC(C)(C)c1cc(C(C)(C)C)c(O)c(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
CA1 P00915 2/20 0.56
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 5/20 0.54
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
GLRA3 O75311 1/20 0.52
GLRB P48167 1/20 0.52
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
HIF1A Q16665 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 3/20 0.48
ALOX15 P16050 3/20 0.48
MAPT P10636 2/20 0.48
HPN P05981 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ATP2A2 P16615 1/20 0.48
ATP2A3 Q93084 1/20 0.48

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
SCHEMBL10618591 0.86 SMN1; SMN2 (0.52) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL3129131 0.85 CA2 (0.52) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL24946528 0.83 SMN1; SMN2 (0.53) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL20657093 0.80 CA2 (0.65) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL10488673 0.80 SMN1; SMN2 (0.65) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL9503301 0.80 SMN1; SMN2 (0.54) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL47579 0.79 CA2 (0.64) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL29462687 0.78 CA2 (0.62) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL11141922 0.77 CA2 (0.54) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL9244593 0.76 SMN1; SMN2 (0.64) CA2CA1SMN1; SMN2ALDH1A1POLB

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
US-5410083-A Synthesis of diaminoresorcinal from resorcinol THE DOW CHEMICAL COMPANY (US) 1995-04-25 US disclosed