SCHEMBL29083598

SCHEMBL29083598

Cc1cc(C)c(C(O)CBr)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
GLA P06280 1/20 0.31
IGFBP3 P17936 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HPGD P15428 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
SCHEMBL29083591 0.81 PTGS1 (0.35) LMNA
SCHEMBL6055215 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL29083609 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL6055116 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL16412648 0.74 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL6055210 0.74 ADRB2 (0.37) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL9082815 0.74 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL3234624 0.72 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3GAA
SCHEMBL9686493 0.72 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL18287890 0.72 IGFBP3 (0.41) SLC6A2SLC6A4SLC6A3MAPTKDM4E

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-116813666-A Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN claimed
CN-116813666-A Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed
CN-116813451-A Substituted benzyl alcohol compound and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed