SCHEMBL18307010

SCHEMBL18307010

CC(C)(C)C(C)(C)OB(O)c1cc2ccccc2c2c1sc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCRTR1 O43613 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 4/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
RAB9A P51151 2/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
NQO1 P15559 1/20 0.31
NQO2 P16083 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL9950434 0.81 MAPT (0.42) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL10035405 0.80 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL10035415 0.75 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL15003530 0.73 MAPT (0.42) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL19961743 0.72 NQO2 (0.41) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL10035406 0.72 L3MBTL1 (0.37) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL10035419 0.72 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL16282347 0.70 MAPT (0.43) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL10035414 0.70 KDM4E (0.37) ALDH1A1HPGDMEN1KMT2AHCRTR1
SCHEMBL10035397 0.70 L3MBTL1 (0.36) ALDH1A1HPGDMEN1KMT2AHCRTR1

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-2949725-B1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO LTD (KR) 2016-12-14 EP disclosed