SCHEMBL8488075

SCHEMBL8488075

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
ACE2 Q9BYF1 3/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
TTPA P49638 3/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 3/20 0.32
USP2 O75604 2/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 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
SCHEMBL10447273 0.90 ACE2 (0.40) MEN1KMT2APDE4APDE3AACE2
SCHEMBL5998972 0.82 ALDH1A1 (0.42) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9268369 0.78 MEN1 (0.38) MEN1KMT2APDE4APDE3AACE2
SCHEMBL9281491 0.78 MEN1 (0.38) MEN1KMT2APDE4APDE3AACE2
SCHEMBL16529640 0.78 MEN1 (0.61) MEN1KMT2APDE4APDE3AACE2
SCHEMBL16529493 0.78 MEN1 (0.61) MEN1KMT2APDE4APDE3AACE2
SCHEMBL16530089 0.78 MEN1 (0.61) MEN1KMT2APDE4APDE3AACE2
SCHEMBL16529641 0.78 MEN1 (0.61) MEN1KMT2APDE4APDE3AACE2
SCHEMBL16530184 0.78 MEN1 (0.61) MEN1KMT2APDE4APDE3AACE2
SCHEMBL16529639 0.78 MEN1 (0.61) MEN1KMT2APDE4APDE3AACE2

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
WO-1999006392-A1 METHOD FOR PREPARING 2H-1 BENZOPYRANES AND SYNTHESIS INTERMEDIATES RHODIA CHIMIE (FR) 1999-02-11 WO disclosed