SCHEMBL30939441

SCHEMBL30939441

CC(C)(C1CC(C2CCCCC2)C(O)C(C2CCCCC2)C1)C1CC(C2CCCCC2)C(O)C(C2CCCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL4954978 0.80 CA1 (0.32) CA1CA2CA4
SCHEMBL16625923 0.75 TSHR (0.38) CA1CA2CA4
Oxirane SCHEMBL5279508 0.74
SCHEMBL3003650 0.73 ALDH1A1 (0.33)
Propylene Oxide SCHEMBL5284044 0.72 CA1 (0.31) CA1CA2CA4
SCHEMBL6331251 0.71 ALDH1A1 (0.41) CTDSP1KDM4EAPOBEC3AAPOBEC3GCA1
SCHEMBL6328019 0.71 ALDH1A1 (0.41) CTDSP1KDM4EAPOBEC3AAPOBEC3GCA1
SCHEMBL16617790 0.69 CTDSP1 (0.39) CTDSP1KDM4EAPOBEC3AAPOBEC3GCA1
SCHEMBL6056887 0.69 ALDH1A1 (0.44) CTDSP1CA1CA2CA4
SCHEMBL2999271 0.67

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-118126304-A Polycarbonate copolymer and preparation method and application thereof 华东理工大学 2024-06-04 CN disclosed