SCHEMBL7993393

SCHEMBL7993393

CCC(C[O])C(=O)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.36
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
FPR2 P25090 2/20 0.34
HSPA5 P11021 1/20 0.33
TLK2 Q86UE8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10615777 0.83 CA2 (0.43) NPC1RAB9AKMT2AALDH1A1MMP3
SCHEMBL647802 0.79 NPC1 (0.44) NPC1RAB9AKMT2ATXNTXNRD1
SCHEMBL10617270 0.79 NPC1 (0.41) NPC1RAB9AKMT2AFPR2MMP3
SCHEMBL5161109 0.78 NPC1 (0.42) NPC1RAB9AKMT2ATXNTXNRD1
SCHEMBL6666888 0.74 NPC1 (0.49) NPC1RAB9AKMT2AFPR2HSPA5
SCHEMBL6281989 0.74 NPC1 (0.47) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL7899576 0.73 NPC1 (0.38) NPC1RAB9AKMT2AHSPA5SMN1; SMN2
SCHEMBL28882574 0.73 NPC1 (0.47) NPC1RAB9AKMT2AFPR2HSPA5
SCHEMBL7196095 0.72 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL2321138 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320040-B1 PREPARING NOVEL NUCLEOSIDE OLIGOMERS BEARING PENDANT CONJUGATE GROUPS FOR INCORPORATION INTO NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2001-11-20 US disclosed
US-5998603-A TETRAHYDROFURANYL COMPOUNDS ARE PROVIDED THAT ARE FUNCTIONALIZED TO INCLUDE PENDANT CONJUGATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-12-07 US disclosed
US-5688941-A Methods of making conjugated 4' desmethyl nucleoside analog compounds ISIS PHARMACEUTICALS, INC. (US) 1997-11-18 US disclosed
US-5608046-A Conjugated 4'-desmethyl nucleoside analog compounds ISIS PHARMACEUTICALS, INC. (US) 1997-03-04 US disclosed
WO-1996010030-A1 OLIGOMERS HAVING HETEROATOM-LINKED CONJUGATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 1996-04-04 WO disclosed