SCHEMBL29937844

SCHEMBL29937844

CC(C)(c1ccc(N)cc1O)c1ccc(N)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.52
TSHR P16473 2/20 0.52
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALOX15 P16050 4/20 0.42
CYP1A2 P05177 1/20 0.42
ATP2A2 P16615 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATP2A3 Q93084 1/20 0.42
GAA P10253 4/20 0.42
CYP3A4 P08684 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL22749425 1.00 CASP1 (0.52) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL396982 0.86 ALDH1A1 (0.54) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL21769212 0.79 CASP1 (0.45) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL2012586 0.77 GAA (0.56) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL29585248 0.77 GAA (0.56) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL13369104 0.77 CASP1 (0.42) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL22050650 0.77 ESR2 (0.47) CASP1TSHRPDE10AALDH1A1MAPT
SCHEMBL278382 0.76 ALDH1A1 (0.54) TSHRALDH1A1MAPTKDM4EALOX15
SCHEMBL29375548 0.76 ALDH1A1 (0.54) TSHRALDH1A1MAPTKDM4EALOX15
SCHEMBL67758 0.74 TRPA1 (0.54) TSHRALDH1A1MAPTKDM4EALOX15

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
CN-107817649-B Photosensitive resin composition, polyamide resin and method for producing same, compound and method for producing same, cured film and method for producing same 东京应化工业株式会社 2022-09-16 CN disclosed