SCHEMBL17807668

SCHEMBL17807668

C=CC(=O)NCC1CCCC(CC(O)CC)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
REN P00797 3/20 0.31
EGFR P00533 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL4364632 0.84 ALDH1A1 (0.45) KMT2ANPC1MEN1ZDHHC20ZDHHC2
SCHEMBL9186900 0.75 ALDH1A1 (0.39) KMT2ANPC1MEN1ZDHHC20ZDHHC2
SCHEMBL14514537 0.74 EPHX1 (0.52) KMT2ANPC1ALDH1A1TSHRMAPK1
SCHEMBL15429220 0.73 ZDHHC20 (0.33) KMT2AZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL220086 0.72 EPHX1 (0.55) KMT2ANPC1ALDH1A1TSHRMAPK1
SCHEMBL15178228 0.71 EPHX2 (0.31)
SCHEMBL17915685 0.70 TSHR (0.41) KMT2AZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL15429223 0.70 ALDH1A1 (0.34) KMT2AZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL10729681 0.70 ALDH1A1 (0.52) KMT2ANPC1MEN1ZDHHC20ZDHHC2
SCHEMBL368411 0.70

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
US-20160157764-A1 MICRONEEDLE ARRAY DEVICE AND METHOD OF MAKING STMICROELECTRONICS S.R.L. (IT) 2016-06-09 US disclosed