SCHEMBL8656262

SCHEMBL8656262

CC(C)COC(=O)Nc1cccc(C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 3/20 0.50
CASR P41180 1/20 0.49
TSHR P16473 3/20 0.46
MAOB P27338 1/20 0.46
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20302610 0.87 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL8652484 0.86 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL8657991 0.84 ALDH1A1 (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2CASR
SCHEMBL8653894 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ESMN1; SMN2CASR
SCHEMBL8654580 0.82 HTT (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL8653094 0.81 KDM4E (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2CASR
SCHEMBL8955458 0.81 ALDH1A1 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2CASR
SCHEMBL8652549 0.81 KDM4E (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2CASR
SCHEMBL8651105 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL6389043 0.80 SMN1; SMN2 (0.64) ALDH1A1LMNAKDM4ESMN1; SMN2CASR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
US-5466655-A STORAGE STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1995-11-14 US disclosed
EP-0630758-A2 Heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1994-12-28 EP disclosed