SCHEMBL18035752

SCHEMBL18035752

CC1=C(C(=O)Oc2cccc3ccc[c]c23)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
GAA P10253 3/20 0.34
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX5 P09917 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16098052 0.76 HDAC4 (0.36) GAAPOLBKMT2AHSD17B10ALDH1A1
SCHEMBL20747162 0.75 LMNA (0.52) SLC6A3GAAPOLBKMT2AALOX5
SCHEMBL12497854 0.74 MEN1 (0.31) KMT2A
SCHEMBL12499264 0.74 MEN1 (0.36) KMT2A
SCHEMBL2406638 0.74 LMNA (0.46) SLC6A3SLC6A2GAAPOLBKMT2A
SCHEMBL2404453 0.73 ESR1 (0.48) GAAPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL2403973 0.72 KMT2A (0.49) SLC6A3SLC6A2GAAPOLBKMT2A
SCHEMBL2403754 0.71 KMT2A (0.50) GAAPOLBKMT2AALDH1A1
SCHEMBL20744830 0.70 ESR1 (0.53) GAAPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL18035726 0.69 HSD17B10 (0.44) SLC6A3HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP claimed
EP-3118226-A1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF Corporation (US) 2017-01-18 EP disclosed