SCHEMBL6007667

SCHEMBL6007667

COC(=O)c1cccc2[nH]c3cccc(C(=O)OC)c3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.53
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
CREBBP Q92793 1/20 0.50
MET P08581 1/20 0.49
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CFTR P13569 1/20 0.48
HSD17B10 Q99714 1/20 0.48
JAK2 O60674 1/20 0.48
KMT2A Q03164 2/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PIM3 Q86V86 1/20 0.47
ALOX5 P09917 1/20 0.46
KIF11 P52732 1/20 0.46
MEN1 O00255 1/20 0.46
RIPK1 Q13546 2/20 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
SCHEMBL6009558 0.92 NR4A2 (0.48) NR4A2LMNATSHRCREBBPMET
SCHEMBL6688990 0.90 ALDH1A1 (0.52) NR4A2TSHRCREBBPMETPKN1
SCHEMBL2181558 0.88 NR4A2 (0.55) NR4A2LMNATSHRCREBBPALDH1A1
SCHEMBL30522265 0.88 NR4A2 (0.55) NR4A2LMNATSHRCREBBPALDH1A1
SCHEMBL31670359 0.88 NR4A2 (0.55) NR4A2LMNATSHRCREBBPALDH1A1
SCHEMBL29022514 0.83 KMT2A (0.46) NR4A2LMNATSHRCREBBPMET
SCHEMBL15987449 0.82 NR4A2 (0.48) NR4A2LMNATSHRCREBBPMET
SCHEMBL4504381 0.81 CREBBP (0.47) NR4A2LMNATSHRCREBBPMET
SCHEMBL6009595 0.80 TSHR (0.61) LMNATSHRALDH1A1HSD17B10KMT2A
SCHEMBL16099217 0.80 MEN1 (0.60) ALDH1A1HSD17B10JAK2KMT2AATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed