SCHEMBL22919551

SCHEMBL22919551

C#CCC[C@@]1(C)C(O)CCC2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.58
▸ FNTB P49356 2/20 0.58
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ INPP5D Q92835 1/20 0.53
▸ NPC1L1 Q9UHC9 4/20 0.53
▸ SRD5A1 P18405 4/20 0.52
▸ SRD5A2 P31213 3/20 0.52
▸ USP2 O75604 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CDC25A P30304 3/20 0.51
▸ CDC25B P30305 1/20 0.51
▸ POLA1 P09884 1/20 0.49
▸ RORC P51449 2/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ OSBP P22059 1/20 0.49
▸ OSBP2 Q969R2 1/20 0.49

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
SCHEMBL23451210 0.86 FNTA (0.61) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL4940767 0.86 FNTA (0.61) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL21399488 0.85 NPC1L1 (0.54) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL23452814 0.80 CYP2D6 (0.53) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL23452817 0.80 FNTA (0.72) FNTAFNTBCYP2D6CYP2C19NPC1L1
SCHEMBL1312201 0.79 FNTA (0.58) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL29358993 0.78 FNTA (0.61) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL6687443 0.77 CYP2D6 (0.59) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL27568855 0.77 CYP2D6 (0.59) FNTAFNTBCYP2D6CYP2C19INPP5D
SCHEMBL16226011 0.77 NPC1L1 (0.66) FNTAFNTBCYP2D6CYP2C19INPP5D

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
EP-3770257-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID National University Corporation Tokyo Medical and Dental University (JP) 2021-01-27 — — EP disclosed
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