SCHEMBL4128075

SCHEMBL4128075

COc1c(F)cccc1C(C)(C)C[C@](O)(Cc1ccccc1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.46
NR3C2 P08235 6/20 0.46
TAAR1 Q96RJ0 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
PGR P06401 3/20 0.34
RIPK1 Q13546 2/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL4039578 0.81 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4128078 0.81 NR3C1 (0.59) NR3C1NR3C2PGR
SCHEMBL4122397 0.77 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4138205 0.74 NR3C1 (0.61) NR3C1NR3C2PGR
SCHEMBL5208282 0.73 NR3C1 (0.55) NR3C1NR3C2PGRMEN1KMT2A
SCHEMBL27774909 0.73 NR3C1 (0.54) NR3C1NR3C2PGRMEN1KMT2A
SCHEMBL3378915 0.72 RIPK1 (0.48) RIPK1MAPK1MEN1KMT2AALDH1A1
SCHEMBL3819478 0.72 RIPK1 (0.48) RIPK1MAPK1MEN1KMT2AALDH1A1
SCHEMBL27176519 0.72 KMT2A (0.40) KMT2AALDH1A1CTSS
SCHEMBL3536311 0.72 KRAS (0.37) TAAR1SLC6A2SLC6A4SLC6A3KCNH2

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-2049112-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS Bausch & Lomb Incorporated (US) 2009-04-22 EP disclosed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed