SCHEMBL2462791

SCHEMBL2462791

CC(CO)NCCCc1ccc(Cl)c(C(=O)NC[C]2CCCCCCC2)c1.[CH2].[CH2]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.52
P2RX7 Q99572 4/20 0.46
SIGMAR1 Q99720 1/20 0.39
LIPG Q9Y5X9 6/20 0.38
LIPC P11150 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
Methane SCHEMBL14735926 0.98 ABCB11 (0.52) ABCB11P2RX7SIGMAR1LIPGLIPC
SCHEMBL6485285 0.86 P2RX7 (0.53) P2RX7LIPGLIPCMEN1KMT2A
SCHEMBL4116624 0.83 P2RX7 (0.64) P2RX7LIPGLIPCMEN1KMT2A
Hydrochloric Acid SCHEMBL5924089 0.82 P2RX7 (0.64) P2RX7LIPGLIPCMEN1KMT2A
Hydrochloric Acid SCHEMBL5960230 0.82 P2RX7 (0.64) P2RX7LIPGLIPCMEN1KMT2A
SCHEMBL5333690 0.82 P2RX7 (0.52) P2RX7LIPGLIPCMEN1KMT2A
SCHEMBL6052984 0.80 ABCB11 (0.64) ABCB11P2RX7
SCHEMBL4129968 0.80 ABCB11 (0.81) ABCB11P2RX7
SCHEMBL4129964 0.80 ABCB11 (0.81) ABCB11P2RX7
SCHEMBL5142841 0.79 NPC1 (0.44) P2RX7MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542670-A2 INDUCED DENDRITIC CELL COMPOSITIONS AND USES THEREOF President and Fellows of Harvard College (US) 2013-01-09 EP disclosed
WO-2011109833-A2 INDUCED DENDRITIC CELL COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-09-09 WO disclosed