SCHEMBL13758014

SCHEMBL13758014

O=C(CC(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
PTPN1 P18031 2/20 0.51
HPGD P15428 1/20 0.51
PRKCA P17252 1/20 0.51
KMT2A Q03164 3/20 0.50
SERPINE1 P05121 1/20 0.50
MEN1 O00255 1/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
Tribenzoin SCHEMBL28609 0.90 ALDH1A1 (0.67) ALDH1A1NPC1RAB9APTPN1HPGD
SCHEMBL13599580 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9APTPN1HPGD
SCHEMBL3181495 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9APTPN1HPGD
SCHEMBL7292206 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9APTPN1HPGD
SCHEMBL29964300 0.85 ALDH1A1 (0.61) ALDH1A1NPC1RAB9APTPN1HPGD
SCHEMBL1786094 0.83 ALDH1A1 (0.59) ALDH1A1NPC1PTPN1PRKCAKMT2A
SCHEMBL25809987 0.83 ALDH1A1 (0.59) ALDH1A1NPC1PTPN1PRKCAKMT2A
SCHEMBL2748321 0.83 ALDH1A1 (0.59) ALDH1A1NPC1RAB9APTPN1HPGD
SCHEMBL14569202 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RAB9APTPN1HPGD
Ethylene SCHEMBL19616645 0.82 ALDH1A1 (0.57) ALDH1A1NPC1RAB9APTPN1HPGD

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-20090174845-A1 Optical Compensating Resin Film for Polarizing Plate, Method for Manufacturing Optical Compensating Resin Film, Polarizing Plate and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2009-07-09 US disclosed