SCHEMBL8422374

SCHEMBL8422374

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.71
ALDH1A1 P00352 2/20 0.61
MAPT P10636 1/20 0.61
CASP6 P55212 1/20 0.53
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
CA2 P00918 1/20 0.48
HCAR3 P49019 7/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45

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
4-Chloro-3-Nitrobenzoic Acid SCHEMBL8768511 0.93 APEX1 (0.62) APEX1ALDH1A1MAPTCASP6LMNA
SCHEMBL8215970 0.85 APEX1 (0.65) APEX1ALDH1A1MAPTCASP6TSHR
SCHEMBL9051152 0.85 MAPT (0.84) APEX1ALDH1A1MAPTTSHRCA2
SCHEMBL2001981 0.85 APEX1 (0.72) APEX1ALDH1A1MAPTCASP6TSHR
SCHEMBL1996412 0.83 APEX1 (0.70) APEX1ALDH1A1MAPTCASP6TSHR
SCHEMBL9049334 0.81 MAPT (0.82) APEX1ALDH1A1MAPTTSHRCA2
SCHEMBL28169588 0.80 MAPT (0.80) APEX1ALDH1A1MAPTTSHRCA2
SCHEMBL8768515 0.80 APEX1 (0.52) APEX1ALDH1A1MAPTCASP6LMNA
SCHEMBL1025382 0.78 APEX1 (0.69) APEX1ALDH1A1MAPTCASP6TSHR
SCHEMBL9050843 0.76 MAPT (1.00) APEX1ALDH1A1MAPTTSHRCA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed