SCHEMBL27303690

SCHEMBL27303690

CC(C)CCCC(C)C1CCC2C(C=O)CCCC12C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 14/20 0.66
▸ CDC25B P30305 9/20 0.66
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CDC45 O75419 1/20 0.47
▸ PTPRC P08575 1/20 0.47
▸ SRD5A1 P18405 3/20 0.47
▸ SRD5A2 P31213 3/20 0.47
▸ INPP5D Q92835 1/20 0.46
▸ NPC1L1 Q9UHC9 1/20 0.46

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
SCHEMBL27311802 0.85 OSBP (0.52) CDC25ACDC25BNPC1L1
SCHEMBL28487113 0.85 OSBP (0.52) CDC25ACDC25BNPC1L1
SCHEMBL28484483 0.85 OSBP (0.52) CDC25ACDC25BNPC1L1
SCHEMBL27941246 0.83 CYP2D6 (0.53) CDC25ACDC25BCYP2D6CYP2C19SRD5A1
SCHEMBL28776585 0.83 CYP2D6 (0.53) CDC25ACDC25BCYP2D6CYP2C19SRD5A1
SCHEMBL28776586 0.83 CYP2D6 (0.53) CDC25ACDC25BCYP2D6CYP2C19SRD5A1
SCHEMBL12153482 0.80 CDC25A (1.00) CDC25ACDC25BCYP2D6CYP2C19INPP5D
SCHEMBL9558404 0.80 CDC25A (1.00) CDC25ACDC25BCYP2D6CYP2C19INPP5D
SCHEMBL9121941 0.80 CDC25A (1.00) CDC25ACDC25BCYP2D6CYP2C19INPP5D
SCHEMBL27378877 0.76 CDC25A (0.63) CDC25ACDC25BCYP2D6CYP2C19SRD5A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1031938-C Process for the preparing substituted indene HOFFMANN LA ROCHE (CH) 1996-06-05 — — CN claimed
CN-1031938-C Process for the preparing substituted indene HOFFMANN LA ROCHE (CH) 1996-06-05 — — CN disclosed
CN-1062342-A The method of the indenes that preparation replaces HOFFMANN LA ROCHE (CH) 1992-07-01 — — CN disclosed
CN-1062342-A The method of the indenes that preparation replaces HOFFMANN LA ROCHE (CH) 1992-07-01 — — CN disclosed
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