SCHEMBL22293370

SCHEMBL22293370

CCC(CC)OC(=O)/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KMT2A Q03164 5/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP1 P03956 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HCAR2 Q8TDS4 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL5941234 0.91 PYGL (0.48) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL5941230 0.91 PYGL (0.48) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL22293390 0.91 LMNA (0.51) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL10785068 0.88 LMNA (0.46) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL5079991 0.87 ALDH1A1 (0.48) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL5079993 0.87 ALDH1A1 (0.48) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL30394688 0.87 AKR1B10 (0.59) LMNAKMT2AAKR1B10AKR1B1MEN1
SCHEMBL3222436 0.87 EGFR (0.49) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL3222440 0.87 EGFR (0.49) LMNAKMT2AAKR1B10AKR1B1NPC1
SCHEMBL119065 0.86 EGFR (0.51) LMNAKMT2AAKR1B10AKR1B1MEN1

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-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP disclosed