SCHEMBL29949490

SCHEMBL29949490

CC(C)P(Cc1cccc2cc3cccc(CP(C(C)C)C(C)C)c3nc12)C(C)C.[Ru+2]

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TERT O14746 10/20 0.42
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1567568 0.98 TERT (0.43) TERTMEN1KMT2APSMD14COPS5
SCHEMBL26212896 0.92 TERT (0.39) TERT
SCHEMBL31492401 0.88 TERT (0.37) TERT
SCHEMBL30672175 0.81 TERT (0.38) TERT
SCHEMBL26918706 0.80 TERT (0.37) TERT
SCHEMBL3630782 0.72 GABRA1 (0.34) CYP1A2CYP2D6CYP2C19
SCHEMBL28277496 0.71 TERT (0.41) TERTMEN1KMT2A
SCHEMBL30843784 0.71 TERT (0.46) TERTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL12565004 0.71 TERT (0.50) TERTMEN1KMT2A
SCHEMBL11764978 0.71 CYP1A2 (0.36) KMT2ACYP1A2CYP2D6CYP2C19

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
CN-109982995-B Preparation of amino acids and amino acid derivatives 优美科股份公司及两合公司 2022-09-30 CN claimed
CN-109982995-B Preparation of amino acids and amino acid derivatives 优美科股份公司及两合公司 2022-09-30 CN disclosed