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SCHEMBL7736240

SCHEMBL7736240

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

nearest known ligand 0.33

Predicted protein targets (top 8)

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
▸ LMNA P02545 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL7739360 0.97 TNKS2 (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL7736241 0.93 NPC1 (0.30) —
SCHEMBL7737490 0.91 POLB (0.35) POLBAPEX1HTTTDP1TSHR
SCHEMBL7737484 0.90 POLB (0.33) POLBAPEX1HTTTDP1TSHR
SCHEMBL7729403 0.88 NPC1 (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL7736862 0.87 TLR8 (0.33) POLBAPEX1HTTTDP1TSHR
SCHEMBL8090223 0.87 POLB (0.34) POLBAPEX1HTTTDP1TSHR
SCHEMBL7736250 0.83 NPC1 (0.37) POLBAPEX1HTTTDP1LMNA
SCHEMBL7023514 0.83 TSHR (0.37) POLBTSHRALDH1A1
SCHEMBL7031867 0.83 NPC1 (0.42) 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 1 patent. 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