SCHEMBL3038293

SCHEMBL3038293

O=C(NN(C(=O)CC=S)C(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 5/20 0.42
MPO P05164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL9067407 0.77 CA1 (0.50) LMNAGAAHTTNPC1TP53
SCHEMBL28537325 0.76 TSHR (0.41) LMNAGAAHTTNPC1TP53
SCHEMBL11689088 0.76 GAA (0.41) LMNAGAAHTTNPC1TP53
SCHEMBL548547 0.74 CA1 (0.47) LMNAGAAHTTNPC1TP53
SCHEMBL6436974 0.74 KDM4E (0.39) LMNAGAAHTTNPC1TP53
SCHEMBL11328037 0.74 KDM4E (0.47) LMNAGAAHTTNPC1TP53
SCHEMBL11321424 0.73 NAAA (0.39) LMNAGAAHTTNPC1TP53
SCHEMBL28261515 0.73 NAAA (0.39) LMNAGAAHTTNPC1TP53
SCHEMBL28582275 0.72 KDM4E (0.57) LMNAGAAHTTNPC1TP53
SCHEMBL78143 0.71 KDM4E (0.45) LMNAGAAHTTNPC1TP53

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
US-8268953-B2 Polycarbonate containing plant-derived component and process for the preparation thereof TEIJIN LIMITED (JP) 2012-09-18 US disclosed
US-20100216914-A1 POLYCARBONATE CONTAINING PLANT-DERIVED COMPONENT AND PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 2010-08-26 US disclosed