SCHEMBL8916145

SCHEMBL8916145

CS(=O)(=O)c1cc(C(=O)O)ccc1C(=O)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 1/20 0.43
LTC4S Q16873 1/20 0.40

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
SCHEMBL8915861 0.86 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL8915216 0.83 SLC9A1 (0.54)
Hydrochloric Acid SCHEMBL8915213 0.81 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL31401408 0.70 SLC9A1 (0.53) KMT2A
SCHEMBL9196477 0.69 HCAR3 (0.58) KMT2A
SCHEMBL3853181 0.69 PPM1D (0.51) KMT2A
SCHEMBL5405584 0.69 CDC25B (0.53) KMT2A
SCHEMBL26144967 0.67 KMO (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL29446092 0.67 PPM1D (0.49) KMT2A
SCHEMBL13544340 0.67 ACMSD (0.56) KMT2A

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-5670544-A ANTIISCHEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed