SCHEMBL30970908

SCHEMBL30970908

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=C2C(=Cc3ccccc3)CCC(P(C3CCCCC3)C3CCCCC3)C2=C2N(c3c(C)cc(C)cc3C)CCN2c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL30514530 0.89 HPGD (0.33) MAPTHPGDALDH1A1
SCHEMBL30485195 0.86 HPGD (0.32) HPGDALDH1A1
SCHEMBL29572238 0.79
SCHEMBL29963037 0.78
SCHEMBL30017903 0.78
SCHEMBL31258311 0.78
SCHEMBL29598254 0.77 HPGD (0.32) HPGDALDH1A1
SCHEMBL29597978 0.75 HPGD (0.31) HPGD
SCHEMBL29598438 0.75 HPGD (0.30) HPGD
SCHEMBL3681245 0.72

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-112004598-B Hydrogenation catalyst composition and use thereof for hydrogenating nitrile rubber 阿朗新科德国有限责任公司 2024-07-19 CN disclosed