SCHEMBL9841866

SCHEMBL9841866

Cc1ccc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
TYR P14679 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGS1 P23219 5/20 0.38
PTGS2 P35354 5/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPN P05981 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL9841664 0.83 ALDH1A1 (0.50) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9841782 0.82 KDR (0.48) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9841770 0.81 ALDH1A1 (0.40) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9842198 0.77 PTGS1 (0.44) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9842148 0.77 ALDH1A1 (0.41) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL18459329 0.75 CA2 (0.61) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9841894 0.72 ALDH1A1 (0.42) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL10577907 0.72 ALDH1A1 (0.42) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9842095 0.71 MKNK1 (0.41) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9842110 0.70 SYK (0.44) CA2ALDH1A1POLBTYRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP claimed
US-5059598-A Antiinflammatory agents; lipoxygenase inhibitors; arthritis; asthma OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-10-22 US disclosed
US-4868183-A ANTIINFLAMMATORY, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-09-19 US disclosed
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP disclosed