SCHEMBL8418979

SCHEMBL8418979

COC(=O)CCCSc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.54
GSTP1 P09211 1/20 0.50
GSTM2 P28161 1/20 0.50
VCAM1 P19320 1/20 0.49
APEX1 P27695 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CA2 P00918 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL5300903 0.93 HPGD (0.58) HPGDPOLBALDH1A1MAPTGSTP1
SCHEMBL14476018 0.85 HPGD (0.67) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL8102330 0.85 HPGD (0.60) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL1995617 0.84 HPGD (0.59) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL22226687 0.83 GSTP1 (0.58) HPGDPOLBALDH1A1MAPTGSTP1
SCHEMBL23768982 0.82 HPGD (0.63) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL21291391 0.81 HPGD (0.61) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL8420669 0.80 KDM4E (0.57) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5917877 0.79 HPGD (0.66) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL8892679 0.79 HPGD (0.62) HPGDPOLBALDH1A1MAPTAPEX1

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-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed