SCHEMBL9856949

SCHEMBL9856949

COc1c(CCC=O)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.44
ERN1 O75460 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HPGD P15428 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
ABCC1 P33527 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL11741450 0.84 ERN1 (0.45) SLC2A1ERN1CYP1A1CYP1B1HPGD
SCHEMBL9170451 0.80 SLC2A1 (0.45) SLC2A1CYP1A1CYP1B1HPGDPRMT5
SCHEMBL30490817 0.80 KDM4E (0.46) SLC2A1ERN1CYP1A1CYP1B1HPGD
SCHEMBL14064624 0.80 KDM4E (0.46) SLC2A1ERN1CYP1A1CYP1B1HPGD
SCHEMBL28975613 0.79 TAAR1 (0.49) SLC2A1MAPTKDM4EALDH1A1MAPK1
SCHEMBL28740512 0.79 MAPT (0.46) SLC2A1CYP1A1CYP1B1HPGDPRMT5
Ammonia Solution, Strong SCHEMBL28190293 0.78 KDM4E (0.45) SLC2A1ERN1CYP1A1CYP1B1HPGD
SCHEMBL8814573 0.78 ALDH1A1 (0.48) CYP1A1CYP1B1HPGDPRMT5WDR77
SCHEMBL5963023 0.76 ALDH1A1 (0.46) ERN1CYP1A1CYP1B1HPGDPRMT5
SCHEMBL9375103 0.76 CYP1A2 (0.55) SLC2A1CYP1A1CYP1B1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed