SCHEMBL30201660

SCHEMBL30201660

CCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(C)CCCCCC)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
LMNA P02545 3/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
RARB P10826 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.51
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
KMT2A Q03164 2/20 0.50
PLA2G4B P0C869 2/20 0.50

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
SCHEMBL6697893 1.00 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7775354 1.00 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL6325725 1.00 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7092890 1.00 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL6697898 1.00 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8608966 1.00 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8608964 0.98 NPC1 (0.59) NPC1LMNANFKB1NFKB2RELA
SCHEMBL5362956 0.96 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9193080 0.96 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA
SCHEMBL91875 0.96 NPC1 (0.63) NPC1LMNANFKB1NFKB2RELA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119020505-A Primer probe combination and kit for detecting Acipenser sinensis eDNA in environmental DNA and application of primer probe combination and kit 中国科学院水生生物研究所 2024-11-26 CN disclosed
US-20230250435-A1 PCSK9 TARGETING OLIGONUCLEOTIDES FOR TREATING HYPERCHOLESTEROLEMIA AND RELATED CONDITIONS DICERNA PHARMACEUTICALS, INC. 2023-08-10 US disclosed
US-11566248-B2 PCSK9 targeting oligonucleotides for treating hypercholesterolemia and related conditions DICERNA PHARMACEUTICALS, INC. (US) 2023-01-31 US disclosed