SCHEMBL13494367

SCHEMBL13494367

O=C1CC[C@@]2(Cc3ccccc3)c3ccc(C(=O)O)cc3CCC2C1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.77
AR P10275 3/20 0.77
IL6 P05231 7/20 0.45
KDM1A O60341 1/20 0.45
CFTR P13569 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
GRM1 Q13255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.37

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
SCHEMBL1571729 1.00 NR3C1 (0.77) NR3C1ARIL6KDM1ACFTR
SCHEMBL12271690 1.00 NR3C1 (0.77) NR3C1ARIL6KDM1ACFTR
SCHEMBL16252266 1.00 NR3C1 (0.77) NR3C1ARIL6KDM1ACFTR
SCHEMBL12272362 0.94 NR3C1 (0.67) NR3C1ARIL6KDM1ACFTR
SCHEMBL12272191 0.94 NR3C1 (0.67) NR3C1ARIL6KDM1ACFTR
SCHEMBL12272067 0.94 NR3C1 (0.67) NR3C1ARIL6KDM1ACFTR
SCHEMBL12271925 0.94 NR3C1 (0.67) NR3C1ARIL6KDM1ACFTR
SCHEMBL2602748 0.91 NR3C1 (0.72) NR3C1ARIL6KDM1ACFTR
SCHEMBL12431705 0.90 NR3C1 (0.71) NR3C1ARIL6KDM1ACFTR
SCHEMBL12272803 0.89 NR3C1 (0.70) NR3C1ARIL6CFTRALDH1A1

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-2307375-B1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER (US) 2014-11-19 EP disclosed
WO-2010013158-A1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER INC. (US) 2010-02-04 WO disclosed