SCHEMBL7729403

SCHEMBL7729403

C=C(C)C(=O)OCCCc1cc(Cc2cc(CCCOC(=O)C(=C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
TNKS2 Q9H2K2 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ALOX5 P09917 1/20 0.32
CHRNA7 P36544 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7737490 0.97 POLB (0.35) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7031867 0.95 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7736250 0.94 NPC1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7029552 0.93 NPC1 (0.31) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7031681 0.92 TSHR (0.35) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7023514 0.91 TSHR (0.37) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7027240 0.91 TSHR (0.39) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7739360 0.90 TNKS2 (0.32) ALDH1A1POLBTDP1TNKS2APEX1
SCHEMBL7026527 0.90 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL7030431 0.90 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2POLB

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