SCHEMBL29437902

SCHEMBL29437902

CC(C)P(c1cccc2cc3cccc(P(C(C)C)C(C)C)c3nc12)C(C)C.[Ru+2]

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
TERT O14746 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL19901563 0.79 PSMD14 (0.33) PSMD14COPS5TERT
SCHEMBL14890881 0.73 ALDH1A1 (0.39) KDM4E
SCHEMBL29949490 0.69 TERT (0.42) PSMD14COPS5TERT
SCHEMBL4453279 0.69 TAAR1 (0.35)
SCHEMBL30096500 0.69 TAAR1 (0.35)
SCHEMBL7987430 0.68 CYP3A4 (0.44) TERTKDM4E
SCHEMBL30211373 0.68 CYP3A4 (0.44) TERTKDM4E
SCHEMBL18287337 0.64 UGT2B7 (0.32)
SCHEMBL18287324 0.64 UGT2B7 (0.35) KDM4E
SCHEMBL28051944 0.64 P2RX7 (0.38) PSMD14COPS5TERTKDM4E

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-113429386-B Synthetic method of R-lipoic acid 苏州富士莱医药股份有限公司 2022-03-18 CN claimed
CN-113429386-B Synthetic method of R-lipoic acid 苏州富士莱医药股份有限公司 2022-03-18 CN disclosed