SCHEMBL7736862

SCHEMBL7736862

C=C(C)C(=O)OCCCc1cc(Cc2cc(CCCOC(=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 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
TNKS2 Q9H2K2 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 2/20 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
SCHEMBL7737484 0.97 POLB (0.33) TLR8POLBAPEX1HTTTDP1
SCHEMBL7736905 0.94 NPC1 (0.32) NPC1RAB9ARXFP1TP53MAPT
SCHEMBL22572592 0.92 TSHR (0.35) TLR8TDP1RAB9AMAPTTSHR
SCHEMBL7026729 0.91 NPC1 (0.32) NPC1RAB9A
SCHEMBL28908795 0.91 TLR8 (0.31) TLR8
SCHEMBL7739360 0.90 TNKS2 (0.32) TNKS2POLBAPEX1HTTTDP1
SCHEMBL7729403 0.89 NPC1 (0.36) TNKS2POLBAPEX1HTTTDP1
SCHEMBL1004781 0.88 TNKS2 (0.43) TLR8TNKS2POLB
SCHEMBL7030783 0.88 NPC1 (0.42) POLBTDP1NPC1RAB9ATP53
SCHEMBL227535 0.87 GAA (0.33) TLR8TNKS2POLBAPEX1HTT

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