SCHEMBL10447273

SCHEMBL10447273

CC(=O)Oc1c(C)c(C)c2c(c1C)C=CC(C)(CCBr)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.40
PDCD1 Q15116 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
TTPA P49638 3/20 0.34
ALOX5 P09917 2/20 0.34
MAPT P10636 4/20 0.32
PNLIP P16233 1/20 0.32
CYP3A4 P08684 3/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8488075 0.90 MEN1 (0.39) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16530185 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16529493 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16530089 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16529641 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16530184 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16529640 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL16529639 0.81 MEN1 (0.61) ACE2PDCD1CD274KMT2AMEN1
SCHEMBL5998972 0.80 ALDH1A1 (0.42) KMT2AMEN1PDE4APDE3ATTPA
SCHEMBL9268369 0.76 MEN1 (0.38) ACE2PDCD1CD274KMT2AMEN1

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-0369082-A1 Cardioprotective tocopherol analogs MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed