SCHEMBL29944706

SCHEMBL29944706

COc1ccc2c(c1Br)CC[C@@H]2O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
ADRA1A P35348 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CYP11B2 P19099 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
SCHEMBL20269397 1.00 CYP19A1 (0.33) CYP19A1ADRA1ACYP1A2ADRA2ADRD2
SCHEMBL20269395 1.00 CYP19A1 (0.33) CYP19A1ADRA1ACYP1A2ADRA2ADRD2
SCHEMBL20269785 0.83
SCHEMBL20269787 0.83
SCHEMBL29944717 0.83
SCHEMBL15286851 0.81 CYP11B1 (0.32) CYP11B2
SCHEMBL25990935 0.81 S1PR1 (0.33)
SCHEMBL16738832 0.81 S1PR1 (0.33)
SCHEMBL29944707 0.81 S1PR1 (0.33)
SCHEMBL1880752 0.80 GID4 (0.35) ADRA1AADRA2ADRD2

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
EP-3555076-B1 NOVEL PHENYL PROPIONIC ACID DERIVATIVES AND USES THEREOF IL DONG PHARMA (KR) 2023-04-05 EP disclosed
CN-110049984-B Phenylpropionic acid derivatives and use thereof 日东制药株式会社 2022-11-15 CN disclosed