SCHEMBL992564

SCHEMBL992564

CC(=O)Oc1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
ELANE P08246 2/20 0.46
PAX8 Q06710 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SRD5A1 P18405 3/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RXRA P19793 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8018111 0.86 PAX8 (0.55) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9343287 0.82 CYP3A4 (0.51) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3794822 0.81 RAB9A (0.47) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL23407754 0.80 RAB9A (0.54) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14384381 0.80 PAX8 (0.50) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3364970 0.80 PAX8 (0.50) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7665673 0.79 PAX8 (0.45) RAB9AMEN1KMT2ANPSR1PAX8
SCHEMBL8970607 0.79 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1ELANELMNA
SCHEMBL25960279 0.78 PAX8 (0.44) RAB9AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4015896 0.78 PAX8 (0.49) RAB9AMEN1KMT2ANPSR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011011483-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed