SCHEMBL24172001

SCHEMBL24172001

CCCCCCCCCCCCCOP(=O)(NC1CCN(C2CCOCC2)CC1)OCCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.38
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
F10 P00742 1/20 0.34
AKT1 P31749 2/20 0.34
TERT O14746 1/20 0.34
UCHL3 P15374 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR4 Q13639 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
LMNA P02545 2/20 0.31
KCNH2 Q12809 2/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL24172004 0.74 CDC25A (0.40) CDC25ALPAR3LPAR1LPAR2AKT1
SCHEMBL24172009 0.68 TDP1 (0.44) CDC25ALPAR3LPAR1LPAR2ALDH1A1
SCHEMBL25090988 0.67 HTR4 (0.34) HTR4EHMT2IRAK4KCNH2PDE7A
SCHEMBL13444802 0.65 HTR4 (0.36) HTR4EHMT2LMNAKCNH2PDE7A
SCHEMBL8467492 0.64 CYP3A4 (0.48) CDC25ALPAR3LPAR1LPAR2AKT1
SCHEMBL5582947 0.64 CDC25A (0.48) CDC25ALPAR3LPAR1LPAR2AKT1
Tetrahydrofuran SCHEMBL27900225 0.63 LPAR3 (0.75) CDC25ALPAR3LPAR1LPAR2
Tetrahydrofuran SCHEMBL28299623 0.63 LPAR3 (0.75) CDC25ALPAR3LPAR1LPAR2
SCHEMBL23943481 0.62 LSS (0.44) ALDH1A1MEN1HTTKMT2AKCNH2
Oxirane SCHEMBL7164231 0.62 LPAR3 (0.81) CDC25ALPAR3LPAR1LPAR2

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-2022002040-A1 LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS Suzhou Abogen Biosciences Co., Ltd. (CN) 2022-01-06 WO disclosed