SCHEMBL7737484

SCHEMBL7737484

C=C(C)C(=O)OCCCCc1cc(Cc2cc(CCCCOC(=O)C(=C)C)cc(-n3nc4ccc(Cl)cc4n3)c2O)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
TLR8 Q9NR97 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL7736862 0.97 TLR8 (0.33) POLBAPEX1HTTTDP1TSHR
SCHEMBL7736905 0.94 NPC1 (0.32) NPC1RAB9ARXFP1
SCHEMBL7736240 0.90 POLB (0.33) POLBAPEX1HTTTDP1TSHR
SCHEMBL7737490 0.90 POLB (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL22572592 0.89 TSHR (0.35) TDP1TSHRTLR8RAB9A
SCHEMBL7026729 0.89 NPC1 (0.32) NPC1RAB9A
SCHEMBL28908795 0.89 TLR8 (0.31) TLR8
SCHEMBL7739360 0.87 TNKS2 (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL7030783 0.87 NPC1 (0.42) POLBTDP1NPC1RAB9A
SCHEMBL7729403 0.87 NPC1 (0.36) POLBAPEX1HTTTDP1TSHR

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-6414100-B1 COMPOUND HAVING EXTREMELY LOW VAPOR PRESSURE AND HIGH DECOMPOSITION TEMPERATURE; CROSSLINKING AGENT FOR WEATHER RESISTANT POLYMERS OTSUKA CHEMICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1055669-A1 BISBENZOTRIAZOLYLPHENOL COMPOUNDS, ULTRAVIOLET ABSORBER, ULTRAVIOLET-ABSORBING POLYMER, AND RESIN COMPOSITION AND COATING MATERIAL BOTH CONTAINING THESE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2000-11-29 EP disclosed