SCHEMBL1127016

SCHEMBL1127016

CCCCOCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)c(C)n1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AR P10275 5/20 0.43
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
GRM6 O15303 1/20 0.41
CNR2 P34972 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL1127521 0.90 TSHR (0.52) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1127538 0.89 TSHR (0.50) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL15161818 0.88 TSHR (0.48) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126564 0.88 TSHR (0.58) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL16500353 0.87 TSHR (0.53) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1127192 0.84 TSHR (0.51) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126553 0.83 TSHR (0.55) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126773 0.83 TSHR (0.49) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1127122 0.81 MAPT (0.53) TSHRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1126786 0.81 TSHR (0.50) TSHRMAPTSMN1; SMN2ALDH1A1HPGD

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