SCHEMBL9774591

SCHEMBL9774591

C=CCN(CC=C)C(C)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.31
KCNA5 P22460 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8969307 0.79 KMT2A (0.33) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL8756239 0.77 MEN1 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL9774507 0.76 TSHR (0.39) KMT2AMEN1TSHRHSD17B10KCNA5
SCHEMBL13623731 0.76 TSHR (0.39) KMT2AMEN1TSHRHSD17B10KCNA5
SCHEMBL16327200 0.75 TSHR (0.37) KMT2AMEN1LMNATSHRHSD17B10
SCHEMBL9300574 0.74 TET2 (0.39) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL9774513 0.71 CHRNB2 (0.42) KMT2AMEN1TSHRHSD17B10KCNA5
SCHEMBL3186126 0.71 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL374306 0.71 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL161790 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-4985556-A INTERMEDIATES AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1991-01-15 US disclosed