SCHEMBL1127122

SCHEMBL1127122

CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCc2ccccc2)n(CC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 3/20 0.52
AR P10275 4/20 0.52
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP2 O95551 1/20 0.49
NSD2 O96028 1/20 0.49
PLCG1 P19174 1/20 0.49
PAX8 Q06710 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.47
ADORA3 P0DMS8 1/20 0.46

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 0.93 TSHR (0.58) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL16500353 0.87 TSHR (0.53) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1989200 0.86 AR (0.64) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1127521 0.86 TSHR (0.52) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1127192 0.85 TSHR (0.51) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1126764 0.85 ALOX15 (0.58) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1126773 0.83 TSHR (0.49) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1127099 0.83 TSHR (0.57) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1126814 0.81 TSHR (0.53) MAPTSMN1; SMN2TSHRARGAA
SCHEMBL1126615 0.81 TSHR (0.53) MAPTSMN1; SMN2TSHRARGAA

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