SCHEMBL7630261

SCHEMBL7630261

COc1cc(CCC(=O)Cl)cc(OS(=O)(=O)c2ccc(C)cc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 4/20 0.45
GFER P55789 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 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
SCHEMBL7636534 0.89 ALDH1A1 (0.48) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL7630166 0.82 ALDH1A1 (0.42) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL8163013 0.81 GFER (0.46) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL8163011 0.81 GFER (0.43) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL2979188 0.81 KMT2A (0.57) KMT2AALDH1A1MEN1MAPT
SCHEMBL7632379 0.79 ALDH1A1 (0.41) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL7931629 0.78 ALDH1A1 (0.53) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL7632391 0.77 KMT2A (0.51) KMT2AALDH1A1GAAMEN1GFER
SCHEMBL20472061 0.76 ENPP1 (0.57) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL20472175 0.75 AKR1C3 (0.50) KMT2AALDH1A1GAAMEN1LMNA

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-6459001-B1 Tricyclic compounds, their preparation process and the intermediates of this process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2002-10-01 US disclosed
US-6221907-B1 Tricyclic compounds having activity specific for integrins, particularly alphanubeta3 integrins, method for preparing same, intermediates therefor, use of said compounds as drugs, and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2001-04-24 US disclosed