SCHEMBL13359602

SCHEMBL13359602

CC(C)(C)OC(=O)N1CC(O)CC1C(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.49
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
ABL1 P00519 4/20 0.42
BCR P11274 3/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HTRA1 Q92743 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL30129963 0.86 MEN1 (0.67) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13325458 0.85 POLB (0.61) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL8281911 0.83 POLB (0.59) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7728024 0.83 MEN1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7728781 0.83 MEN1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7728020 0.83 MEN1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL845426 0.82 POLB (0.49) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1375465 0.82 CYP3A4 (0.57) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1375463 0.82 CYP3A4 (0.57) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7722205 0.81 NPC1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1

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-7718782-B2 hydroxy fatty acid glycosides; used as surfactants THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2010-05-18 US disclosed