SCHEMBL6745009

SCHEMBL6745009

O=C(OCCOC(=O)c1cccc(-n2nc3ccccc3n2)c1O)c1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31361778 1.00 TSHR (0.44) TSHRTDP1ALDH1A1L3MBTL1TP53
SCHEMBL22618507 0.87 ALDH1A1 (0.55) TSHRTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL5166388 0.80 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4NPC1RAB9A
SCHEMBL4453106 0.72 NPC1 (0.37) TSHRTDP1ALDH1A1L3MBTL1NPC1
SCHEMBL31437603 0.71 RAB9A (0.51) TDP1ALDH1A1TP53NPC1RAB9A
SCHEMBL7775643 0.71 TDP1 (0.61) TSHRTDP1ALDH1A1L3MBTL1TP53
SCHEMBL7699953 0.71 NPC1 (0.47) ALDH1A1TP53CYP3A4NPC1RAB9A
SCHEMBL29031120 0.71 RAB9A (0.51) TDP1ALDH1A1TP53NPC1RAB9A
SCHEMBL13121650 0.71 GABRA1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9175550 0.70 NPC1 (0.44) ALDH1A1TP53NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762250-B2 TRANSPARENCY, FLUIDITY; CONTAINING POLYSILOXANE HAVING AT LEAST AROMATIC HYDROCARBON FUNCTIONALITY, CARBOXYLIC ACID ESTER AND/OR ETHER LINKAGES AND PHOSPHORIC ESTER GROUP ATTACHMENT MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-07-13 US disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
US-20040054116-A1 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION 2004-03-18 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed