SCHEMBL8652016

SCHEMBL8652016

COc1ccc(OCCOC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
SENP8 Q96LD8 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8655647 0.91 TP53 (0.65) LMNATP53RAB9ANPC1SMN1; SMN2
SCHEMBL8748192 0.89 TP53 (0.64) LMNATP53RAB9ANPC1SMN1; SMN2
SCHEMBL9149732 0.89 RAB9A (0.66) LMNATP53RAB9ANPC1SMN1; SMN2
SCHEMBL9149368 0.88 KMT2A (0.58) LMNATP53RAB9ANPC1SMN1; SMN2
SCHEMBL9147252 0.86 RAB9A (0.61) LMNATP53RAB9ANPC1SMN1; SMN2
SCHEMBL8604682 0.85 KMT2A (0.54) LMNATP53RAB9ASMN1; SMN2KMT2A
SCHEMBL8654945 0.82 KDM4E (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL51025 0.82 PPARD (0.56) LMNARAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29378251 0.82 PPARD (0.56) LMNARAB9ANPC1SMN1; SMN2TSHR
Zinc Ion SCHEMBL8748191 0.81 LMNA (0.59) LMNATP53RAB9ANPC1SMN1; SMN2

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 4 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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US 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