SCHEMBL28522380

SCHEMBL28522380

CCCc1cc(C)c(C2=C(C)C(=O)NC2=O)c(CC)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL28530505 0.89 HTR2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL27235775 0.88 SHBG (0.34) HTR2AHTR2CHTR2B
SCHEMBL8441691 0.80 GSK3B (0.33)
SCHEMBL23291852 0.78 CDK4 (0.30)
SCHEMBL23291869 0.77 KDM4E (0.30) ALDH1A1
SCHEMBL8442263 0.76 HMGB1 (0.33) HTR2AHTR2CHTR2B
SCHEMBL8443716 0.70 PARP1 (0.33)
SCHEMBL3677689 0.69 PDK2 (0.39) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL9883918 0.66 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL11559770 0.65 ALDH1A1 (0.46) FFAR4ALDH1A1HTT

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-112400138-A Material for forming film for lithography, composition for forming film for lithography, underlayer film for lithography, and pattern formation method 三菱瓦斯化学株式会社 2021-02-23 CN disclosed