SCHEMBL6679532

SCHEMBL6679532

CCCCCCCOCC(=O)Nc1cccc(OCCCCCCC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
NR1H4 Q96RI1 4/20 0.58
FAAH O00519 1/20 0.55
SMPD1 P17405 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
PLA2G4B P0C869 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AHR P35869 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL11680824 0.84 THRB (0.62) THRBNR1H4FAAHSMPD1NPC1
SCHEMBL14544616 0.84 THRB (0.65) THRBALDH1A1NR1H4FAAHSMPD1
SCHEMBL6233710 0.84 THRB (0.58) THRBNR1H4FAAHSMPD1SMN1; SMN2
SCHEMBL2095695 0.83 FAAH (0.65) THRBALDH1A1NR1H4FAAHSMPD1
SCHEMBL9858310 0.82 NR1H4 (0.68) THRBNR1H4FAAHSMPD1PLA2G4B
SCHEMBL9769453 0.82 THRB (0.67) THRBALDH1A1NR1H4FAAHSMPD1
SCHEMBL8654103 0.82 ALDH1A1 (0.58) HPGDALDH1A1FAAHNPC1SMN1; SMN2
SCHEMBL2095693 0.81 FAAH (0.62) THRBNR1H4FAAHSMPD1
SCHEMBL14521763 0.81 THRB (0.61) THRBNR1H4FAAHSMPD1PLA2G4B
SCHEMBL24849837 0.80 THRB (0.52) THRBNR1H4FAAHSMPD1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220054-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-11-04 US disclosed
EP-1473591-A1 Recording material FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 EP disclosed
US-5916680-A CONTAINING A DIAZO COMPOUND OR AN ELECTRON DONATIVE DYE PRECURSOR, WHEREIN THE CAPSULE WALL IS COMPOSED OF AT LEAST ONE POLYMER OBTAINED BY POLYMERIZATION OF AN ISOCYANATE COMPOUND CONTAINING AN ADDUCT FUJI PHOTO FILM CO., LTD (JP) 1999-06-29 US disclosed