SCHEMBL7074743

SCHEMBL7074743

C=CC(O)CCCC(=C)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 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
SCHEMBL11392320 0.81 SLC6A2 (0.33) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5437330 0.81 TRPA1 (0.34) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7901842 0.78 TRPA1 (0.33) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7912109 0.78 TRPA1 (0.33) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL11656668 0.78
SCHEMBL30969111 0.78 NFKB1 (0.50) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL4929111 0.74 SLC6A2 (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL1846019 0.74
SCHEMBL1846227 0.72
SCHEMBL196198 0.72

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-116100897-A Lightweight car trunk carpet and preparation method thereof 常熟新常泰汽车内饰科技有限公司 2023-05-12 CN disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed