SCHEMBL7515063

SCHEMBL7515063

CCCCCCCCOc1ccc(C(COC)=NO)c(OCCCCCCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.48
THRB P10828 6/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NR5A1 Q13285 1/20 0.44
MGLL Q99685 5/20 0.42
PTPN11 Q06124 1/20 0.41
PLA2G4B P0C869 1/20 0.41
SLC2A1 P11166 2/20 0.41

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
SCHEMBL7514252 0.81 THRA (0.62) THRATHRBTP53ALDH1A1PTPN11
SCHEMBL9360872 0.76 THRA (0.59) THRATHRBTP53NR5A1PTPN11
SCHEMBL19549621 0.75 MAOA (0.60) THRATHRBTP53ALDH1A1PTPN11
SCHEMBL26355067 0.75 MAOA (0.60) THRATHRBTP53ALDH1A1PTPN11
SCHEMBL5492191 0.75 PTPN11 (0.64) THRATHRBTP53PTPN11PLA2G4B
SCHEMBL7820620 0.75 PTPN11 (0.64) THRATHRBTP53PTPN11PLA2G4B
SCHEMBL13412633 0.73 NR5A1 (0.56) THRATHRBTP53NR5A1PLA2G4B
SCHEMBL7516526 0.72 THRA (0.62) THRATHRBTP53PTPN11PLA2G4B
SCHEMBL2091707 0.72 NR5A1 (0.61) THRATHRBTP53NR5A1PLA2G4B
SCHEMBL19612480 0.72 PLA2G4B (0.58) THRATHRBLMNAMAPTALDH1A1

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
EP-0899614-B1 Image recording material FUJI PHOTO FILM CO LTD (JP) 2002-01-09 EP disclosed
US-6162574-A Image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-12-19 US disclosed
EP-0899614-A1 Image recording material Fuji Photo Film Co., Ltd. (JP) 1999-03-03 EP disclosed