SCHEMBL14845129

SCHEMBL14845129

O=[N+]([O-])c1cccc(CCCCCO)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.38
GSTP1 P09211 4/20 0.36
GSTM2 P28161 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL8576604 0.87 ALDH1A1 (0.59) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL94769 0.87 GPR35 (0.55) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL7564163 0.85 ALDH1A1 (0.61) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL28324925 0.81 TSHR (0.38) GPR35ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL9819807 0.81 TSHR (0.47) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL10977025 0.81 TSHR (0.51) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL17780857 0.80 TDP1 (0.47) GPR35ALDH1A1TSHRTDP1GSTP1
SCHEMBL22614890 0.80 GPR35 (0.47) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL6259352 0.80 ALDH1A1 (0.63) GPR35ALDH1A1TSHRTDP1HPGD
SCHEMBL3933610 0.80 GPR35 (0.58) GPR35ALDH1A1TSHRTDP1HPGD

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
EP-2763957-A1 PHOTOALIGNING MATERIALS Rolic AG (CH) 2014-08-13 EP disclosed
WO-2013050121-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2013-04-11 WO disclosed