SCHEMBL1499503

SCHEMBL1499503

CCC1OC1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CES1 P23141 3/20 0.41
CES2 O00748 2/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
HBB P68871 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5195290 1.00 EPHX1 (0.55) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5197203 0.86 EPHX1 (0.51) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5196890 0.83 EPHX1 (0.49) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5196050 0.82 EPHX1 (0.47) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5196840 0.80 CTSK (0.47) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5194663 0.80 CTSK (0.47) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5197134 0.80 CTSK (0.47) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5196344 0.80 CTSK (0.47) EPHX1MEN1KMT2AHPGDTP53
SCHEMBL5197253 0.80 NPC1 (0.47) KMT2ACES1CES2MAPTALDH1A1
SCHEMBL10942440 0.78 EPHX1 (0.69) EPHX1MEN1KMT2AHPGDTP53

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
JP-2011508053-A 2011-03-10 JP claimed
EP-2242776-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF Corporation (US) 2010-10-27 EP claimed
WO-2009088596-A1 MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS BASF CATALYSTS LLC (US) 2009-07-16 WO claimed
CN-104903359-B Method for forming polymerization catalysts with controlled catalyst properties and use thereof in olefin polymerization 格雷斯公司 2018-05-08 CN disclosed