SCHEMBL30516497

SCHEMBL30516497

Cc1ccc(NCCCO)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.63
PRSS1 P07477 10/20 0.49
PTGER4 P35408 1/20 0.44
KAT2B Q92831 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6248663 1.00 HDAC6 (0.63) HDAC6PRSS1PTGER4KAT2BALDH1A1
Hydrochloric Acid SCHEMBL4862759 0.98 HDAC6 (0.61) HDAC6PRSS1PTGER4KAT2BALDH1A1
SCHEMBL6253238 0.95 HDAC6 (0.61) HDAC6PRSS1PTGER4KAT2BALDH1A1
Hydrochloric Acid SCHEMBL4864775 0.93 HDAC6 (0.60) HDAC6PRSS1PTGER4KAT2BALDH1A1
SCHEMBL1497919 0.89 HDAC6 (0.58) HDAC6PRSS1PTGER4ALDH1A1HSD17B10
SCHEMBL124591 0.89 HDAC6 (0.71) HDAC6PRSS1PTGER4KAT2BALDH1A1
SCHEMBL7137884 0.84 HDAC6 (0.65) HDAC6PRSS1KAT2BALOX15TP53
SCHEMBL5806008 0.83 HDAC6 (0.63) HDAC6PRSS1KAT2B
SCHEMBL14906563 0.83 HDAC6 (0.63) HDAC6PRSS1PTGER4KAT2BALDH1A1
SCHEMBL21016436 0.81 HDAC6 (0.61) HDAC6PRSS1PTGER4KAT2BALDH1A1

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
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed