SCHEMBL8419634

SCHEMBL8419634

C=CCCCC(=O)Oc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.42
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
ALDH2 P05091 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MIF P14174 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10800085 0.87 KMT2A (0.51) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL29263637 0.85 KMT2A (0.51) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL6536709 0.85 PRSS1 (0.51) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL23174851 0.84 KMT2A (0.58) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL689043 0.84 KMT2A (0.63) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL419283 0.82 KMT2A (0.53) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL689052 0.82 KMT2A (0.61) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL688997 0.82 KMT2A (0.61) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL27465955 0.82 KMT2A (0.61) KMT2AALDH1A1HSD17B10LMNAMAPT
SCHEMBL17157057 0.82 KMT2A (0.61) KMT2AALDH1A1HSD17B10LMNAMAPT

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
US-4710549-A Cross-linked phosphazene polymer ETHYL CORPORATION (US) 1987-12-01 US disclosed