SCHEMBL3397296

SCHEMBL3397296

CCCCCCCCCC(=O)Oc1ccc(OC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ESR1 P03372 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
PAM P19021 2/20 0.47
CA2 P00918 2/20 0.47
DGKA P23743 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 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
SCHEMBL9724821 0.95 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL5696798 0.93 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL5696715 0.93 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL38661498 0.93 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL15549028 0.93 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL5696854 0.93 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL15549194 0.91 KMT2A (0.66) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL10407329 0.91 KMT2A (0.65) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL18087016 0.88 KMT2A (0.62) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL10959370 0.88 PRSS1 (0.60) KMT2ASMN1; SMN2ESR1ALDH1A1PRSS1

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
EP-2251405-A1 LIQUID BLEACH COMPOSITION Kao Corporation (JP) 2010-11-17 EP disclosed