SCHEMBL10717481

SCHEMBL10717481

COC(=O)c1c(C)[nH]c(C)c1C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
PKM P14618 1/20 0.50
NR4A2 P43354 4/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL10717542 0.89 ALDH1A1 (0.62) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10719868 0.85 LMNA (0.61) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7300031 0.81 MAPT (0.67) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10745338 0.80 MAPT (0.62) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10720150 0.80 MAPT (0.69) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7298319 0.78 LMNA (0.56) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7298819 0.78 LMNA (0.53) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10720005 0.78 MAPT (0.64) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7299206 0.78 ALDH1A1 (0.67) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10717947 0.78 LMNA (0.52) TSHRALDH1A1CYP1A2CYP2C19MAPT

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-0230110-A1 Pharmacologically active pyrrole and pyrazole derivatives FISONS plc (GB) 1987-07-29 EP claimed
EP-0230110-A1 Pharmacologically active pyrrole and pyrazole derivatives FISONS plc (GB) 1987-07-29 EP disclosed