SCHEMBL6282777

SCHEMBL6282777

CCC(=O)Oc1ccc(Oc2ccc(OC(=O)CC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ESR1 P03372 2/20 0.68
HIF1A Q16665 2/20 0.68
RECQL P46063 1/20 0.68
ELANE P08246 2/20 0.61
MAPT P10636 6/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ACHE P22303 2/20 0.51
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL312147 0.93 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL6031349 0.92 ELANE (0.69) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11445596 0.91 KMT2A (0.73) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11673182 0.90 LTA4H (0.58) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL8582397 0.90 KMT2A (0.58) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL9171166 0.86 KMT2A (0.68) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11668542 0.86 ESR1 (0.53) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL7930777 0.84 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL361899 0.84 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL819434 0.84 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL

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-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed