SCHEMBL21399488

SCHEMBL21399488

C#CCCC1(C)CC(O)CCC2C1CCC1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 4/20 0.54
▸ USP2 O75604 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ INPP5D Q92835 1/20 0.51
▸ FNTA P49354 2/20 0.51
▸ FNTB P49356 2/20 0.51
▸ OSBP P22059 2/20 0.49
▸ OSBP2 Q969R2 2/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ RORC P51449 1/20 0.49
▸ CYP46A1 Q9Y6A2 1/20 0.49
▸ SRD5A1 P18405 4/20 0.48
▸ SRD5A2 P31213 3/20 0.48
▸ CDC25A P30304 3/20 0.48
▸ CDC25B P30305 1/20 0.48

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
SCHEMBL22919551 0.85 FNTA (0.58) NPC1L1USP2LMNAMEN1TP53
SCHEMBL27545306 0.81 CYP2D6 (0.65) NPC1L1USP2LMNAMEN1TP53
SCHEMBL23452814 0.78 CYP2D6 (0.53) NPC1L1USP2LMNAMEN1TP53
SCHEMBL23452817 0.77 FNTA (0.72) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL1312201 0.76 FNTA (0.58) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL9018747 0.76 CDC25A (0.61) NPC1L1USP2LMNAMEN1TP53
Epicoprosterol SCHEMBL24632942 0.75 OSBP (0.78) USP2LMNATP53CYP2D6CYP2C19
Epicoprosterol SCHEMBL21000320 0.75 OSBP (0.78) USP2LMNATP53CYP2D6CYP2C19
Epicoprosterol SCHEMBL25267973 0.75 OSBP (0.78) USP2LMNATP53CYP2D6CYP2C19
Epicoprosterol SCHEMBL22018677 0.75 OSBP (0.78) USP2LMNATP53CYP2D6CYP2C19

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
WO-2019182109-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID 国立大学法人東京医科歯科大学 2019-09-26 — — WO disclosed
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