SCHEMBL21190862

SCHEMBL21190862

CCS(=O)(=O)Cc1ccc(OC2CCOCC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
PDE4D Q08499 8/20 0.42
PDE4A P27815 7/20 0.42
PDE4B Q07343 7/20 0.42
PDE4C Q08493 7/20 0.42
RORC P51449 1/20 0.41
SYK P43405 1/20 0.40
HTT P42858 1/20 0.40
IKBKB O14920 1/20 0.37
KAT2B Q92831 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
UTS2R Q9UKP6 4/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL21191020 0.89 BRD4 (0.52) BRD4PDE4DPDE4APDE4BPDE4C
SCHEMBL21190866 0.80 IKBKE (0.46) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL21190864 0.80 SYK (0.43) BRD4PDE4DPDE4APDE4BPDE4C
SCHEMBL21191141 0.78 BRD4 (0.39) BRD4PDE4DPDE4APDE4BPDE4C
SCHEMBL21191018 0.78 SYK (0.42) BRD4PDE4DPDE4APDE4BPDE4C
SCHEMBL20789795 0.76 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL20789797 0.76 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL20154992 0.75 HRH3 (0.41) BRD4PDE4DPDE4APDE4BPDE4C
SCHEMBL21190894 0.75 BRD4 (0.51) BRD4PDE4DPDE4APDE4BPDE4C
SCHEMBL16658440 0.74 MAPT (0.43) HTTKDM4ELMNA

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
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 US disclosed