SCHEMBL28240660

SCHEMBL28240660

C=C(C)C(=O)CCCCCCCCCCCCP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ NR5A2 O00482 1/20 0.38
▸ NR5A1 Q13285 1/20 0.38
▸ ADRA1D P25100 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1B P35368 1/20 0.37

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
SCHEMBL28240661 0.86 LMNA (0.47) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL28062033 0.82 TSHR (0.50) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL28055008 0.82 TSHR (0.50) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL27532967 0.82 TSHR (0.50) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL22978392 0.80 ADRA1A (0.41) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL1146679 0.79 BTN3A1 (0.44) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL20482670 0.79 LMNA (0.58) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL19458808 0.79 LMNA (0.58) LMNAESR1ADORA3CDC25AAGTR1
Octadecylphosphocholine SCHEMBL23001170 0.79 LMNA (0.58) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL20483366 0.79 LMNA (0.58) LMNAESR1ADORA3CDC25AAGTR1

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
CN-108456280-A A kind of phospholipid organic polymer integral material and its preparation method and application 暨南大学 2018-08-28 — — CN disclosed
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