SCHEMBL1126773

SCHEMBL1126773

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
AR P10275 4/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
PLCG1 P19174 1/20 0.44
PAX8 Q06710 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
GRM6 O15303 1/20 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
SCHEMBL1126564 0.89 TSHR (0.58) TSHRARMAPTALDH1A1HPGD
SCHEMBL16500353 0.89 TSHR (0.53) TSHRARMAPTALDH1A1HPGD
SCHEMBL1126702 0.87 TSHR (0.53) TSHRARMAPTALDH1A1HPGD
SCHEMBL1127192 0.86 TSHR (0.51) TSHRARMAPTALDH1A1HPGD
SCHEMBL1127521 0.83 TSHR (0.52) TSHRARMAPTALDH1A1HPGD
SCHEMBL1127122 0.83 MAPT (0.53) TSHRARMAPTALDH1A1HPGD
SCHEMBL1127016 0.83 TSHR (0.47) TSHRARMAPTALDH1A1HPGD
SCHEMBL1126550 0.83 TSHR (0.47) TSHRARMAPTALDH1A1HPGD
SCHEMBL1989200 0.81 AR (0.64) TSHRARMAPTALDH1A1HPGD
SCHEMBL1127538 0.81 TSHR (0.50) TSHRARMAPTALDH1A1HPGD

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