SCHEMBL30423213

SCHEMBL30423213

CC(C)(C)c1cccc2c1OC(=O)C2C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL7785533 0.81 CA2 (0.35) CA2GABRA1GABRB2
SCHEMBL5603503 0.73 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL3952959 0.72 NR3C1 (0.46)
SCHEMBL8117643 0.68
SCHEMBL13891723 0.67 HTR2C (0.36) GABRA1GABRB2
SCHEMBL39085 0.66 ALDH1A1 (0.39)
SCHEMBL29413922 0.66 ALDH1A1 (0.39)
SCHEMBL3353198 0.66 NR3C1 (0.41) CA2
SCHEMBL9827158 0.65 CA2 (0.39) CA2GABRA1GABRB2
SCHEMBL10080186 0.65 CA2 (0.39) CA2GABRA1GABRB2

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-112771108-B Stabilized rotomoulded polyolefin 巴斯夫欧洲公司 2023-05-05 CN disclosed