SCHEMBL29664389

SCHEMBL29664389

CCCCCCCC/C=C\CCCCCCCC(=O)OS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SOAT1 P35610 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
FABP3 P05413 7/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29664380 0.92 ALDH1A1 (0.51) ALDH1A1
SCHEMBL9808856 0.89 FAAH (0.48) FAAHKDM4ESOAT1MEN1TP53
SCHEMBL10730060 0.89 FAAH (0.48) FAAHKDM4ESOAT1MEN1TP53
SCHEMBL1914560 0.89 FAAH (0.48) FAAHKDM4ESOAT1MEN1TP53
SCHEMBL29078336 0.87 EPHX2 (0.54) FAAHKDM4ESOAT1CYP1A2CYP3A4
SCHEMBL7187298 0.81 DGKA (0.43) ALDH1A1
SCHEMBL7182276 0.81 DGKA (0.43) ALDH1A1
SCHEMBL7184752 0.81 DGKA (0.43) ALDH1A1
SCHEMBL28416008 0.80 HSD17B3 (0.51) KDM4ETP53CYP3A4KMT2AALDH1A1
SCHEMBL28415270 0.80 HSD17B3 (0.51) KDM4ETP53CYP3A4KMT2AALDH1A1

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-114728254-A Polyurea microcapsules and liquid surfactant system containing the same 西姆莱斯股份公司 2022-07-08 CN disclosed