SCHEMBL28153642

SCHEMBL28153642

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC(C(=O)C5CCCC6CC[C@@H]7[C@H](CC[C@]8(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]78)[C@]65C)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.60
▸ FNTB P49356 4/20 0.60
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CDC25A P30304 5/20 0.58
▸ POLA1 P09884 1/20 0.58
▸ INPP5D Q92835 1/20 0.58
▸ AKR1B10 O60218 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ EFNA1 P20827 1/20 0.55
▸ EPHA2 P29317 1/20 0.55
▸ PSEN1 P49768 1/20 0.55
▸ PSEN2 P49810 1/20 0.55
▸ GPBAR1 Q8TDU6 1/20 0.55
▸ APH1B Q8WW43 1/20 0.55
▸ NCSTN Q92542 1/20 0.55
▸ APH1A Q96BI3 1/20 0.55
▸ PSENEN Q9NZ42 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55

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
SCHEMBL29275434 0.93 CYP2D6 (0.60) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL28408 0.86 CYP2D6 (0.65) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL9224303 0.86 CYP2D6 (0.65) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL133952 0.86 CYP2D6 (0.65) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL3447573 0.86 CYP2D6 (0.65) FNTAFNTBCYP2D6CYP2C19CDC25A
Water SCHEMBL4949873 0.85 CYP2D6 (0.64) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL29011064 0.85 CYP2D6 (0.63) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL4740626 0.84 CDC25A (0.57) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL4739368 0.84 CDC25A (0.57) FNTAFNTBCYP2D6CYP2C19CDC25A
SCHEMBL27525051 0.84 CDC25A (0.59) FNTAFNTBCYP2D6CYP2C19CDC25A

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-107266391-A Amine cation lipid and application thereof 迪克纳制药公司 2017-10-20 — — CN disclosed
CN-103987847-B amine cationic lipids and uses thereof 迪克纳制药公司 2017-06-16 — — CN disclosed
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