SCHEMBL9841664

SCHEMBL9841664

CC(C)(C)c1cc(Nc2ccc(Cl)nn2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 7/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
GFER P55789 1/20 0.39
POLB P06746 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TYR P14679 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
KDR P35968 1/20 0.36
BLM P54132 1/20 0.36
CASP6 P55212 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9841866 0.83 CA2 (0.43) ALDH1A1MAPTGAATDP1HDAC6
SCHEMBL9841782 0.81 KDR (0.48) ALDH1A1MAPTGAATDP1HDAC6
SCHEMBL9841770 0.79 ALDH1A1 (0.40) ALDH1A1MAPTGAATDP1HDAC6
SCHEMBL9842198 0.76 PTGS1 (0.44) ALDH1A1MAPTGAATDP1HDAC6
SCHEMBL9842148 0.76 ALDH1A1 (0.41) ALDH1A1MAPTGAATDP1HDAC6
SCHEMBL9841838 0.76 ALDH1A1 (0.41) ALDH1A1MAPTGAATDP1CA2
SCHEMBL18459329 0.74 CA2 (0.61) ALDH1A1MAPTGAATDP1CA2
SCHEMBL10577907 0.71 ALDH1A1 (0.42) ALDH1A1MAPTGAATDP1CA2
SCHEMBL9841894 0.71 ALDH1A1 (0.42) ALDH1A1MAPTGAATDP1CA2
SCHEMBL10870243 0.70 NFKB1 (0.45) ALDH1A1MAPTGAATDP1CA2

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