SCHEMBL7300031

SCHEMBL7300031

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 4/20 0.67
TSHR P16473 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C19 P33261 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
HIF1A Q16665 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 3/20 0.56
NR4A2 P43354 1/20 0.54
HTT P42858 3/20 0.51
GAA P10253 3/20 0.51
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL7291203 0.92 MAPT (0.61) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL7299206 0.91 ALDH1A1 (0.67) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL7288759 0.89 ALDH1A1 (0.55) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL7300629 0.89 ALDH1A1 (0.70) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL10720150 0.89 MAPT (0.69) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL10720005 0.88 MAPT (0.64) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL10745338 0.86 MAPT (0.62) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL10717542 0.86 ALDH1A1 (0.62) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL10744872 0.86 MAPT (0.62) MAPTALDH1A1TSHRNPSR1CYP1A2
SCHEMBL10717465 0.86 MAPT (0.62) MAPTALDH1A1TSHRNPSR1CYP1A2

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