SCHEMBL8765617

SCHEMBL8765617

COC(=O)[C@H](Cc1ccc(OCC(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
HDAC8 Q9BY41 3/20 0.57
KLK5 Q9Y337 1/20 0.56
BCL2 P10415 1/20 0.55
YAP1 P46937 1/20 0.54
ITGB3 P05106 3/20 0.53
ITGA2B P08514 3/20 0.53
PTPN1 P18031 2/20 0.53
PPARG P37231 1/20 0.52
REN P00797 1/20 0.51
CTSS P25774 2/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL8766135 1.00 MEN1 (0.59) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL14032531 0.92 HDAC8 (0.57) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL7302031 0.92 ALDH1A1 (0.59) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL7351628 0.91 HDAC8 (0.58) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL3350988 0.91 BCL2 (0.64) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL6161729 0.91 BCL2 (0.64) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL3500186 0.91 BCL2 (0.64) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL31725913 0.90 HDAC8 (0.55) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL24899403 0.87 ITGB3 (0.59) MEN1ALDH1A1LMNAKMT2AHDAC8
SCHEMBL8336016 0.87 ITGB3 (0.59) MEN1ALDH1A1LMNAKMT2AHDAC8

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-0624599-B1 Derivatives of mono (6-amino-desoxy)cyclodextrin substituted in position 6 with an alpha aminoacid group, process of their preparation and applications OREAL (FR) 1997-07-30 EP claimed
US-5631244-A PREPARATION OF INCLUSION COMPLEXES TO SOLUBILIZE COSMETIC AND DERMATOLOGICALLY ACTIVE MATERIALS L'OREAL (FR) 1997-05-20 US disclosed