SCHEMBL7320143

SCHEMBL7320143

COc1ccc(CCCOS(=O)(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
PAX8 Q06710 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PTGER1 P34995 1/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL6994087 0.92 LMNA (0.53) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL7334848 0.88 PDE4B (0.48)
SCHEMBL457964 0.86 LMNA (0.44) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL2567795 0.84 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1CA12CA1
SCHEMBL18934371 0.84 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1CA12CA1
SCHEMBL8780852 0.82 FKBP1A (0.53) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL890360 0.82 PTGS2 (0.52) LMNASMN1; SMN2ALDH1A1MAPTCA12
SCHEMBL18934283 0.82 CYP19A1 (0.48) ALDH1A1CA12CA1CA9
SCHEMBL2352786 0.82 PTGS1 (0.49) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL11911915 0.82 BIRC5 (0.47) LMNASMN1; SMN2POLBALDH1A1MAPT

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
EP-0135905-A2 1-(Alkyl-hydroxy-phenyl)-1-hydroxy-2-(alkylamino)-propanes ASTA Pharma Aktiengesellschaft (DE) 1985-04-03 EP disclosed