SCHEMBL25835513

SCHEMBL25835513

C=Cc1ccc2c(OC)ccc3cc/c(=C/C)c1c32

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL25835859 0.79 ESR2 (0.35)
SCHEMBL18716440 0.76 ALDH1A1 (0.41) HPGDALDH1A1
SCHEMBL28924729 0.75 ALDH1A1 (0.39) KDM4EALDH1A1MAPT
SCHEMBL19999172 0.75 NQO1 (0.50) NQO1KDM4EHPGDALDH1A1MAPT
SCHEMBL29876078 0.75 NQO1 (0.50) NQO1KDM4EHPGDALDH1A1MAPT
SCHEMBL10392528 0.75 NQO1 (0.50) NQO1KDM4EHPGDALDH1A1MAPT
SCHEMBL10558993 0.71 ALDH1A1 (0.44) NQO1KDM4EHPGDALDH1A1MAPT
SCHEMBL28891975 0.71 ALDH1A1 (0.44) NQO1KDM4EHPGDALDH1A1MAPT
SCHEMBL29968831 0.71 ALDH1A1 (0.44) NQO1KDM4EHPGDALDH1A1MAPT
Formaldehyde SCHEMBL28223959 0.71 ALDH1A1 (0.48) NQO1KDM4EHPGDALDH1A1MAPT

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-20230221641-A1 HARDMASK COMPOSITION, HARDMASK LAYER, AND METHOD OF FORMING PATTERNS SAMSUNG SDI CO., LTD. (KR) 2023-07-13 US disclosed