SCHEMBL2901419

SCHEMBL2901419

CCCCOc1ccc(C2C(O)[C@@]3(O)C(c4ccc(OCCCC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
CRBN Q96SW2 1/20 0.35
LTA4H P09960 2/20 0.35
NR5A1 Q13285 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PLA2G4B P0C869 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
SCHEMBL812653 0.85 SLC5A2 (0.34) LMNAMEN1ALDH1A1KMT2A
SCHEMBL8555110 0.81 ESR1 (0.39) NPC1LMNARAB9AALDH1A1CYP2D6
SCHEMBL9791939 0.81 ALDH1A1 (0.46) NPC1LMNARAB9AMEN1ALDH1A1
SCHEMBL9791876 0.80 PLK1 (0.51) NPC1LMNARAB9AMEN1ALDH1A1
SCHEMBL77133 0.79 ABCB1 (0.34)
SCHEMBL9841193 0.78 L3MBTL1 (0.46) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5202375 0.77 SLC5A2 (0.34)
SCHEMBL9792091 0.76 OPRD1 (0.35) LMNAMEN1KMT2A
SCHEMBL8557024 0.74 ALK (0.32) ALDH1A1
SCHEMBL9791945 0.74 CYP4F2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100110153-A1 INK UNIT INCLUDING INK AND INK-WETTED MEMBER FUJIFILM CORPORATION (JP) 2010-05-06 US disclosed
US-7673963-B2 Ink unit including ink and ink-wetted member FUJIFILM CORPORATION (JP) 2010-03-09 US disclosed
US-20070058017-A1 Ink unit including ink and ink-wetted member FUJI PHOTO FILM CO., LTD. (JP) 2007-03-15 US disclosed
US-20070040883-A1 Ink unit containing ink and ink-contacting member FUJI PHOTO FILM CO., LTD., (JP) 2007-02-22 US disclosed