SCHEMBL7300629

SCHEMBL7300629

COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
MAPT P10636 4/20 0.70
TSHR P16473 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
HIF1A Q16665 1/20 0.70
LMNA P02545 3/20 0.56
NR4A2 P43354 1/20 0.50
HTT P42858 3/20 0.48
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
AKR1C3 P42330 2/20 0.46

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
SCHEMBL10720116 0.92 LMNA (0.64) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL7299206 0.90 ALDH1A1 (0.67) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL7300031 0.89 MAPT (0.67) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL7298361 0.86 ALDH1A1 (0.57) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL7291203 0.85 MAPT (0.61) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL10720150 0.85 MAPT (0.69) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL10720005 0.84 MAPT (0.64) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL7290963 0.83 ALDH1A1 (0.63) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL29766970 0.82 ALDH1A1 (1.00) ALDH1A1MAPTTSHRNPSR1TDP1
SCHEMBL1938827 0.82 ALDH1A1 (1.00) ALDH1A1MAPTTSHRNPSR1TDP1

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-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP claimed
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP disclosed