SCHEMBL28477669

SCHEMBL28477669

CCc1c(C)ccc(S(=O)(=O)O)c1OCCOC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
PDIA6 Q15084 1/20 0.31
TNFRSF1A P19438 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL21219210 0.96 ALDH1A1 (0.35) ALDH1A1FFAR1PDIA6
SCHEMBL21219212 0.87 THRA (0.32) ALDH1A1FFAR1LMNAPDIA6
SCHEMBL28370060 0.87 GAA (0.35) ALDH1A1PDIA6MEN1KMT2AMAPT
SCHEMBL28404513 0.85 ALDH1A1 (0.34) ALDH1A1LMNAPDIA6MEN1KMT2A
SCHEMBL25340129 0.83 SMN1; SMN2 (0.33) ALDH1A1HTTLMNAMEN1HPGD
SCHEMBL21647622 0.81 L3MBTL1 (0.36) ALDH1A1HTTLMNAMEN1HPGD
SCHEMBL21587523 0.79 APP (0.50) ALDH1A1FFAR1HTTLMNAMAPT
SCHEMBL18613993 0.78 CA12 (0.38) ALDH1A1
SCHEMBL29142432 0.78 PTPN1 (0.44) LMNAHPGDMAPT
SCHEMBL29041544 0.77 CA1 (0.50) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed
CN-113166116-A Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2021-07-23 CN disclosed
CN-108558701-B Micromolecule AIEE luminescent material with triple stimulus responsiveness and preparation method thereof 湘潭大学 2020-11-03 CN disclosed