SCHEMBL6847530

SCHEMBL6847530

CCCCCCCCCCCCCCCCOc1cc(C=O)cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1201617 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201339 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1200595 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201087 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201157 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL4937483 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201490 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201058 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201447 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1
SCHEMBL1201189 1.00 FDPS (0.44) FDPSTHRATHRBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107971-B1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LTD (GB) 2004-11-24 EP disclosed
US-6630128-B1 Insoluble support DESTINY PHARMA LIMITED (GB) 2003-10-07 US disclosed
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
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed