SCHEMBL1127195

SCHEMBL1127195

CCCCOCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
BACE1 P56817 1/20 0.38
RARA P10276 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
AGTR2 P50052 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL15161873 0.93 THRB (0.37) BACE1FFAR1FFAR4HDAC8TSHR
SCHEMBL1127423 0.88 TSHR (0.39) TSHRGAAKDM4EAR
SCHEMBL1126904 0.87 PPARG (0.35) TSHRGAAPPARGKDM4EAR
SCHEMBL1127595 0.84 KDM4E (0.39) TSHRGAAL3MBTL1KDM4E
SCHEMBL1127235 0.84 THRB (0.37) TSHRGAAKDM4EAR
SCHEMBL1126938 0.82 KDM4E (0.43) TSHRGAAKDM4E
SCHEMBL23488097 0.81 THRB (0.40) TSHRGAAL3MBTL1KDM4EAR
SCHEMBL1127378 0.80 HPGD (0.41) TSHRGAA
SCHEMBL1126775 0.79 ALDH1A1 (0.40) GAAL3MBTL1KDM4E
SCHEMBL15161860 0.79 LMNA (0.44) RECQLKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed