SCHEMBL7736267

SCHEMBL7736267

C=C(C)C(=O)OCCCc1cc(CN(CC)CC)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
TSHR P16473 2/20 0.32
ALOX5 P09917 1/20 0.31
BCHE P06276 2/20 0.31
TNKS2 Q9H2K2 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL7737123 0.94 POLB (0.35) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7729403 0.89 NPC1 (0.36) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7737490 0.86 POLB (0.35) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7736247 0.85 CYP2D6 (0.33) POLBTDP1CHRM2HTR1ACHRM1
SCHEMBL7031867 0.84 NPC1 (0.42) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7268054 0.84 NPC1 (0.39) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7031681 0.83 TSHR (0.35) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7736250 0.83 NPC1 (0.37) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7023514 0.83 TSHR (0.37) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7737093 0.82 THRB (0.36) POLBNPC1RAB9AALDH1A1SMN1; 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 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