SCHEMBL21694071

SCHEMBL21694071

Cc1ccc(OC(C)Oc2ccc(N)cc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.50
TDP1 Q9NUW8 9/20 0.41
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.39
CYP3A4 P08684 4/20 0.38
TEAD4 Q15561 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21693972 0.86 TDP1 (0.41) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21693995 0.86 TDP1 (0.42) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2881391 0.82 TDP1 (0.52) TDP1ALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL21693996 0.81 CASP1 (0.46) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4232206 0.81 ALDH1A1 (0.46) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21693976 0.79 CASP1 (0.43) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8644207 0.77 ALDH1A1 (0.61) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21693963 0.76 ALDH1A1 (0.52) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21693935 0.76 CASP1 (0.40) CASP1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18702751 0.76 ALDH1A1 (0.45) CASP1TDP1ALDH1A1SMN1; SMN2MAPT

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
WO-2020032091-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE 帝人株式会社 2020-02-13 WO disclosed