SCHEMBL7868898

SCHEMBL7868898

CCCCCCCCCCCCCCCCOc1ccc(C=O)c(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.47
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 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
SCHEMBL17243236 1.00 TLR4 (0.47) TLR4GAATDP1L3MBTL1ALDH1A1
SCHEMBL19710403 0.93 GAA (0.48) TLR4GAATDP1L3MBTL1ALDH1A1
SCHEMBL5954267 0.89 TLR4 (0.45) TLR4ALDH1A1LMNAMAPTMEN1
SCHEMBL1242931 0.86 NPC1 (0.52) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL11439257 0.86 NPC1 (0.52) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL28004812 0.86 NPC1 (0.52) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL5954273 0.85 TLR4 (0.39) TLR4ALDH1A1LMNAMAPTMEN1
SCHEMBL27693071 0.84 TLR4 (0.50) TLR4GAATDP1L3MBTL1ALDH1A1
SCHEMBL31612271 0.81 ALDH1A1 (0.44) TLR4TDP1ALDH1A1LMNAMAPT
SCHEMBL31612273 0.81 ALDH1A1 (0.44) TLR4TDP1ALDH1A1LMNAMAPT

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-1107971-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM Destiny Pharma Limited (GB) 2001-06-20 EP disclosed
WO-2000012512-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LIMITED (GB) 2000-03-09 WO disclosed