SCHEMBL9364131

SCHEMBL9364131

Cc1ccc(O)c(CCOc2ccc(Oc3ccccc3)cc2)c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.40
MCL1 Q07820 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PLA2G2A P14555 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL872699 0.77 ALDH1A1 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL900006 0.75 KMT2A (0.35) CA12CA1CA2CA7CA9
SCHEMBL10663904 0.74 LMNA (0.41) MCL1CA12CA1CA2CA7
SCHEMBL9364127 0.74 HTT (0.43) LTA4HPPARGPPARACA12CA1
SCHEMBL9568441 0.74 HPGD (0.31)
SCHEMBL10357774 0.73 KCNH2 (0.39) LMNASMN1; SMN2
SCHEMBL8443514 0.71 HPGD (0.41) CA2ALDH1A1LMNASMN1; SMN2
SCHEMBL9428238 0.69 FFAR4 (0.46) LTA4HPPARGPPARAPLA2G2ASMN1; SMN2
SCHEMBL4208635 0.69 ESR1 (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL7071459 0.69 TYR (0.44) PPARAMCL1CA2ALDH1A1LMNA

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-0388665-B1 Substituted N-hydroxypyrazoles and N-hydroxy-triazoles and their use in combatting parasites BASF AG (DE) 1994-04-27 EP disclosed
EP-0388665-A1 Substituted N-hydroxypyrazoles and N-hydroxy-triazoles and their use in combatting parasites BASF Aktiengesellschaft (DE) 1990-09-26 EP disclosed