SCHEMBL4391010

SCHEMBL4391010

O=C(CNCCO)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
CYP3A4 P08684 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNN4 O15554 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
LTA4H P09960 4/20 0.35
GLA P06280 1/20 0.33

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
SCHEMBL25001185 0.81 NAAA (0.46) MEN1KMT2AHTTALDH1A1LTA4H
SCHEMBL6507711 0.80 KCNN4 (0.40) LMNAKDM4EMEN1POLBKMT2A
SCHEMBL30534379 0.78 KCNN4 (0.43) LMNAKDM4EMEN1POLBKMT2A
SCHEMBL23548035 0.78 KCNN4 (0.39) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1177684 0.77 HIF1A (0.44) MEN1KMT2ACYP3A4L3MBTL1KCNN4
SCHEMBL10352222 0.75 CYP19A1 (0.44) LMNAKDM4EMEN1POLBKMT2A
SCHEMBL28779165 0.74 CYP3A4 (0.43) KMT2ACYP3A4KCNN4CYP2C19HIF1A
SCHEMBL27726754 0.73 HIF1A (0.44) MEN1POLBKMT2ACYP3A4KCNN4
SCHEMBL4391005 0.73 CYP1A2 (0.40) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2816305 0.72 ALDH1A1 (0.56) LMNAMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073767-B1 METHODS, KITS AND COMPOSITIONS FOR DETECTING AND QUANTITATING TARGET SEQUENCES BOSTON PROBES INC (US) 2009-11-25 EP disclosed
US-7135563-B2 Compositions for detecting target sequences BOSTON PROBES, INC. (US) 2006-11-14 US disclosed
US-20020058278-A1 Methods, kits and compositions for detecting and quantitating target sequences BOSTON PROBES, INC. (US) 2002-05-16 US disclosed
US-6287772-B1 USING PROBE-BASED HYBRIDIZATION ASSAYS. BOSTON PROBES, INC. 2001-09-11 US disclosed
EP-1073767-A1 METHODS, KITS AND COMPOSITIONS FOR DETECTING AND QUANTITATING TARGET SEQUENCES Boston Probes, Inc. (US) 2001-02-07 EP disclosed
WO-1999055916-A1 METHODS, KITS AND COMPOSITIONS FOR DETECTING AND QUANTITATING TARGET SEQUENCES BOSTON PROBES, INC. (US) 1999-11-04 WO disclosed