SCHEMBL24172004

SCHEMBL24172004

CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.40
LPAR3 Q9UBY5 3/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
AKT1 P31749 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TERT O14746 1/20 0.35
UCHL3 P15374 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 3/20 0.33
THRA P10827 1/20 0.33
PKM P14618 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL24172018 0.75 LPAR3 (0.41) CDC25ALPAR3LPAR1LPAR2AKT1
SCHEMBL24172001 0.74 CDC25A (0.38) CDC25ALPAR3LPAR1LPAR2AKT1
SCHEMBL5582947 0.69 CDC25A (0.48) CDC25ALPAR3LPAR1LPAR2AKT1
SCHEMBL8467492 0.69 CYP3A4 (0.48) CDC25ALPAR3LPAR1LPAR2AKT1
SCHEMBL19981530 0.68 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL22388964 0.68 MEN1 (0.34) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL20926990 0.67 MAPK1 (0.45) ALDH1A1LMNASMN1; SMN2KCNH2
SCHEMBL11927923 0.67 GNAI3 (0.56) MEN1KMT2AALDH1A1TDP1
SCHEMBL23344665 0.67 MEN1 (0.32) MEN1KMT2ASMN1; SMN2
SCHEMBL29389309 0.66 KMT2A (0.58) MEN1HTTKMT2AALDH1A1TDP1

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