SCHEMBL28294389

SCHEMBL28294389

C=C(C)C(=O)OC(CCCC)n1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP2C19 P33261 4/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL28294395 0.96 TSHR (0.38) TSHRCYP2C19ALDH1A1CYP1A2GAA
SCHEMBL28004961 0.92 TSHR (0.33) TSHRALDH1A1
SCHEMBL28004603 0.86 TSHR (0.35) TSHR
SCHEMBL16694185 0.84 TSHR (0.40) TSHRALDH1A1
SCHEMBL28294422 0.81 TSHR (0.40) TSHRALDH1A1
SCHEMBL16694192 0.80 TSHR (0.42) TSHRCYP2C19ALDH1A1
SCHEMBL28004596 0.77 TSHR (0.37) TSHRCYP2C19ALDH1A1CYP1A2GAA
SCHEMBL27644302 0.75 TSHR (0.38) TSHRALDH1A1
SCHEMBL16694063 0.75 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL28004997 0.72 TSHR (0.33) TSHR

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-104428713-B Photosensitive polymer combination, conductive wires protective film and touch panel component 东丽株式会社 2019-06-07 CN disclosed