SCHEMBL27568855

SCHEMBL27568855

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CDC25A P30304 5/20 0.59
▸ CDC25B P30305 3/20 0.59
▸ INPP5D Q92835 1/20 0.58
▸ NPC1L1 Q9UHC9 3/20 0.58
▸ USP2 O75604 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SRD5A1 P18405 4/20 0.55
▸ SRD5A2 P31213 3/20 0.55
▸ FNTA P49354 2/20 0.55
▸ FNTB P49356 2/20 0.55
▸ ABCB1 P08183 1/20 0.53
▸ OSBP P22059 1/20 0.53
▸ RORC P51449 1/20 0.53
▸ OSBP2 Q969R2 1/20 0.53
▸ CYP46A1 Q9Y6A2 1/20 0.53

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
SCHEMBL6687443 1.00 CYP2D6 (0.59) CYP2D6CYP2C19CDC25ACDC25BINPP5D
Tetradecylamine SCHEMBL6699005 0.90 CYP2D6 (0.52) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL12987816 0.86 CYP2D6 (0.65) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL12248265 0.84 CYP2D6 (0.55) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL27506460 0.83 CYP2D6 (0.61) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL28831684 0.83 HMGCR (0.54) CDC25ACDC25BNPC1L1USP2LMNA
SCHEMBL27241192 0.82 CDC25A (0.83) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL27241194 0.82 CDC25A (0.83) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL17817536 0.81 NPC1L1 (0.64) CYP2D6CYP2C19CDC25ACDC25BINPP5D
SCHEMBL17817534 0.81 NPC1L1 (0.64) CYP2D6CYP2C19CDC25ACDC25BINPP5D

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-1326461-A Meiosis regulating compounds NOVO NORDISK AS (DK) 2001-12-12 — — CN claimed
CN-1326461-A Meiosis regulating compounds NOVO NORDISK AS (DK) 2001-12-12 — — CN disclosed
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