SCHEMBL1126786

SCHEMBL1126786

CCCOCn1c(C)c(C(=O)OCC)c(-c2ccccc2)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
AR P10275 5/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GRM6 O15303 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
PLCG1 P19174 1/20 0.44
PAX8 Q06710 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL15161818 0.93 TSHR (0.48) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1126814 0.91 TSHR (0.53) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1990320 0.91 TSHR (0.48) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL16500353 0.87 TSHR (0.53) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1127099 0.85 TSHR (0.57) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1126564 0.85 TSHR (0.58) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1994935 0.84 TSHR (0.54) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1126910 0.84 AR (0.43) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1126553 0.83 TSHR (0.55) TSHRARMAPTSMN1; SMN2ALDH1A1
SCHEMBL1127192 0.82 TSHR (0.51) TSHRARMAPTSMN1; SMN2ALDH1A1

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