SCHEMBL1126764

SCHEMBL1126764

CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCc2ccccn2)n(CC)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AR P10275 2/20 0.42
PPARG P37231 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
PLCG1 P19174 1/20 0.42
PAX8 Q06710 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL15161894 0.88 ALOX15 (0.53) ALOX15MAPTLMNAGAATSHR
SCHEMBL1126564 0.87 TSHR (0.58) ALOX15MAPTLMNAGAATSHR
SCHEMBL1127122 0.85 MAPT (0.53) MAPTLMNAGAATSHRSMN1; SMN2
SCHEMBL1127521 0.82 TSHR (0.52) ALOX15MAPTLMNAGAATSHR
SCHEMBL16500353 0.81 TSHR (0.53) MAPTLMNAGAATSHRSMN1; SMN2
SCHEMBL1126773 0.80 TSHR (0.49) ALOX15MAPTLMNAGAATSHR
SCHEMBL1127192 0.79 TSHR (0.51) ALOX15MAPTLMNAGAATSHR
SCHEMBL1127099 0.77 TSHR (0.57) MAPTLMNAGAATSHRSMN1; SMN2
SCHEMBL1126814 0.76 TSHR (0.53) MAPTLMNAGAATSHRSMN1; SMN2
SCHEMBL1989200 0.76 AR (0.64) MAPTLMNAGAATSHRSMN1; SMN2

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-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