SCHEMBL7729398

SCHEMBL7729398

C=C(C)C(=O)OC(C)Cc1cc(Cc2cc(CC(C)OC(=O)C(=C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SLC7A5 Q01650 1/20 0.32
MEN1 O00255 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 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
SCHEMBL7739367 0.90 MCL1 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7737494 0.89 NPC1 (0.31) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7736252 0.86 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23122389 0.84 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7024972 0.84 NPC1 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7737081 0.83 RAB9A (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7736250 0.81 NPC1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7029156 0.80 NPC1 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7729403 0.80 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7033997 0.79 NPC1 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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