SCHEMBL874531

SCHEMBL874531

CCCCc1ccc(OCOC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
CASP1 P29466 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CALM1 P0DP23 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL27937161 0.98 ALDH1A1 (0.46) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL9015403 0.93 ALDH1A1 (0.56) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL10405439 0.93 ALDH1A1 (0.56) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL9512255 0.92 ACACB (0.45) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL2128463 0.88 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9510203 0.87 ALDH1A1 (0.48) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL9508798 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL9508794 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL16933991 0.84 LMNA (0.62) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL19003536 0.83 LMNA (0.58) ALDH1A1LMNAMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471355-B Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN PHARMACEUTICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
CN-102471355-A Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN SEIYAKU KK 2012-05-23 CN disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed
US-4853150-A 2-(4,3-Disubstituted phenyl)-5-alkyl-1,3,2-dioxaborinane derivatives and liquid crystal material NAUCHNO-ISSLEDOVATELSKY INSTITUT PRIKLADNYKH FIZICHESKIKH PROBLEM IMENI A. N. SEVCHENKO (SU) 1989-08-01 US disclosed