SCHEMBL6847397

SCHEMBL6847397

CC(=O)OCCCCCCCCCCCCOc1ccc(C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 1/20 0.46
PPARA Q07869 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALB P02768 1/20 0.43
LTA4H P09960 1/20 0.43
CYP2A6 P11509 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL6851329 1.00 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL6850263 1.00 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL13547835 0.98 ALDH1A1 (0.57) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL9682201 0.90 ALDH1A1 (0.54) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
Propane SCHEMBL18422877 0.87 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL20024737 0.87 PPARA (0.58) GAAL3MBTL1PPARAALB
SCHEMBL12214117 0.85 HTT (0.68) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL9114019 0.85 HTT (0.68) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL18007118 0.85 HTT (0.68) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL27256910 0.85 HTT (0.68) ALDH1A1LMNAMAPTHPGDSMN1; 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 4 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