SCHEMBL20744830

SCHEMBL20744830

O=C(Oc1cccc2ccc[c]c12)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.46
ELANE P08246 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA1 P30542 1/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
FABP7 O15540 3/20 0.36

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
SCHEMBL2406824 0.79 ESR1 (0.61) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL10571601 0.77 ESR1 (0.66) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL16756220 0.77 ESR1 (0.66) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL16756210 0.77 ESR1 (0.66) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL6941070 0.77 KMT2A (0.85) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL18035791 0.76 MEN1 (0.36) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL12499264 0.76 MEN1 (0.36) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL13004869 0.76 ESR1 (0.85) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL16756223 0.75 ESR1 (0.63) ESR1ESR2KMT2AMEN1L3MBTL1
SCHEMBL21314856 0.75 ESR1 (0.53) ESR1ESR2KMT2AMEN1L3MBTL1

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-3668643-A1 BORON-BASED ELECTRON DONORS FOR ZIEGLER-NATTA CATALYST SYSTEMS Braskem America, Inc. (US) 2020-06-24 EP disclosed
WO-2019036376-A1 BORON-BASED ELECTRON DONORS FOR ZIEGLER-NATTA CATALYST SYSTEMS BRASKEM AMERICA, INC. (US) 2019-02-21 WO disclosed