SCHEMBL21470199

SCHEMBL21470199

CCCCCCC(=O)Oc1ccc(CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
THRB P10828 2/20 0.51
ALOX15 P16050 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
THRA P10827 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 1/20 0.46
CA2 P00918 2/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
DGKA P23743 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL10704366 1.00 KMT2A (0.58) KMT2ASMN1; SMN2THRBALOX15NPC1
SCHEMBL11456829 0.93 KMT2A (0.50) KMT2ASMN1; SMN2THRBALOX15NPC1
SCHEMBL38661498 0.90 KMT2A (0.68) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL5696715 0.90 KMT2A (0.68) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL15549028 0.90 KMT2A (0.68) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL5696854 0.90 KMT2A (0.68) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL5696798 0.90 KMT2A (0.68) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL15987877 0.89 KMT2A (0.59) KMT2ASMN1; SMN2THRBALOX15NPC1
SCHEMBL28371002 0.89 KMT2A (0.59) KMT2ASMN1; SMN2THRBALOX15NPC1
SCHEMBL28366896 0.89 KMT2A (0.59) KMT2ASMN1; SMN2THRBALOX15NPC1

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
WO-2019200367-A9 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-12-19 WO disclosed
WO-2019200367-A1 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-10-17 WO disclosed