SCHEMBL28204516

SCHEMBL28204516

C=CC1(C(=O)O)CCCCC1.C=COC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL648973 0.83 CYP2C19 (0.38) MEN1ALDH1A1POLBKMT2A
SCHEMBL471835 0.81 CYP2C19 (0.34)
SCHEMBL27937712 0.81 FFAR3 (0.45) MEN1ALDH1A1POLBKMT2A
SCHEMBL27550463 0.81 KDM4E (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL27661594 0.80 CYP2C19 (0.31)
SCHEMBL8768141 0.77
Hydrogen Peroxide SCHEMBL27786199 0.74
Acetic Acid SCHEMBL11358887 0.72 FFAR3 (0.41) ALDH1A1
SCHEMBL25671 0.72
Acetic Acid SCHEMBL1309209 0.72 FFAR3 (0.41) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107841248-B The high rigidity coating of normal temperature cured type 沙河市湡久新材料有限公司 2019-02-12 CN disclosed
CN-107841248-A The high rigidity coating of normal temperature cured type 沙河市湡久新材料有限公司 2018-03-27 CN disclosed