SCHEMBL16273459

SCHEMBL16273459

Cc1cc(C(=O)OCCC2CCCCC2)cc(C(CCC2CCCCC2)OO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTGS2 P35354 2/20 0.33
CNR1 P21554 2/20 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
SCHEMBL107374 0.83 L3MBTL1 (0.43) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL683373 0.83 NPC1 (0.39) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL16247834 0.78 L3MBTL1 (0.40) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL12548718 0.75 L3MBTL1 (0.48) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL14883130 0.74 ESR1 (0.43) NPC1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL14882887 0.73 KMT2A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14883103 0.72 ESR1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL14882898 0.71 NPC1 (0.46) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL250654 0.70 KMT2A (0.47) MEN1KMT2ASMN1; SMN2TSHRCHRM2
SCHEMBL12019830 0.70 CHRM2 (0.40) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1

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
US-20140356771-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE SAME, PATTERN FORMING METHOD, MANUFACTURING METHOD OF ELECTRONIC DEVICE AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2014-12-04 US disclosed