SCHEMBL22471815

SCHEMBL22471815

CCCCCCCCCCCCCCCCCC(=O)Oc1cc(O)cc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 7/20 0.48
CNR1 P21554 6/20 0.48
DGKA P23743 1/20 0.47
PTGS2 P35354 2/20 0.46
ELANE P08246 2/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL11546979 1.00 KMT2A (0.50) KMT2ASMN1; SMN2CNR2CNR1DGKA
SCHEMBL14831865 1.00 KMT2A (0.50) KMT2ASMN1; SMN2CNR2CNR1DGKA
SCHEMBL675476 1.00 KMT2A (0.50) KMT2ASMN1; SMN2CNR2CNR1DGKA
SCHEMBL14060911 1.00 KMT2A (0.50) KMT2ASMN1; SMN2CNR2CNR1DGKA
SCHEMBL15463445 0.98 KMT2A (0.48) KMT2ASMN1; SMN2CNR2CNR1DGKA
SCHEMBL9752590 0.93 KMT2A (0.45) KMT2ASMN1; SMN2CNR2CNR1PTGS2
SCHEMBL8653636 0.91 KMT2A (0.47) KMT2ASMN1; SMN2CNR2CNR1
SCHEMBL8653228 0.91 KMT2A (0.47) KMT2ASMN1; SMN2CNR2CNR1
SCHEMBL8652802 0.91 KMT2A (0.47) KMT2ASMN1; SMN2CNR2CNR1
SCHEMBL8651624 0.91 KMT2A (0.47) KMT2ASMN1; SMN2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020196073-A1 REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT パイロットインキ株式会社 2020-10-01 WO disclosed