SCHEMBL27705663

SCHEMBL27705663

O=C(O)CCCCCCCCC(=O)Oc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALB P02768 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ALDH2 P05091 6/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL27686592 1.00 KMT2A (0.54) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL27465956 1.00 KMT2A (0.54) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL8521336 0.98 KMT2A (0.56) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL926957 0.95 KMT2A (0.50) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL927682 0.95 KMT2A (0.50) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL9511238 0.95 KMT2A (0.50) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL928044 0.93 KMT2A (0.51) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL688997 0.93 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL689052 0.93 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3LMNA
SCHEMBL27465955 0.93 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3LMNA

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
CN-101076457-B Pneumatic tire BRIDGESTONE CORP 2011-07-27 CN disclosed
CN-101076457-A Pneumatic tire BRIDGESTONE CORP (JP) 2007-11-21 CN disclosed