SCHEMBL28888554

SCHEMBL28888554

CC(C)c1cc(C(c2ccccc2)c2ccccc2)cc(C(C)C)c1-c1cccc(-c2c(C(C)C)cc(C(c3ccccc3)c3ccccc3)cc2C(C)C)c1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL21331820 0.89 ROCK2 (0.64) ROCK2
SCHEMBL29924407 0.88 ROCK2 (0.49) ROCK2GAAL3MBTL1
SCHEMBL28888532 0.85 ROCK2 (0.38) ROCK2GAAL3MBTL1
SCHEMBL30788622 0.84 ROCK2 (0.62) ROCK2
SCHEMBL21331802 0.83 ROCK2 (0.49) ROCK2
SCHEMBL28888549 0.82 ROCK2 (0.36) ROCK2
SCHEMBL29923955 0.81 ROCK2 (0.45) ROCK2
SCHEMBL30714841 0.81 ROCK2 (0.58) ROCK2
SCHEMBL30956271 0.81 ROCK2 (0.58) ROCK2
SCHEMBL14716768 0.81 ROCK2 (0.58) ROCK2

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-115181128-A Phosphine ligand of arylmethyl biaryl and transition metal complex thereof 东莞市均成高新材料有限公司 2022-10-14 CN disclosed