SCHEMBL9852991

SCHEMBL9852991

O=C(O)CCCOC(=O)N1CCc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 3/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PRMT5 O14744 5/20 0.54
WDR77 Q9BQA1 5/20 0.54
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
NOTUM Q6P988 1/20 0.50
ABHD6 Q9BV23 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NLRP3 Q96P20 1/20 0.49
MAPT P10636 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
SLC22A12 Q96S37 1/20 0.48

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
SCHEMBL9853000 0.92 SMN1; SMN2 (0.58) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL15355387 0.85 PRMT5 (0.55) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL30647004 0.85 PRMT5 (0.55) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL324836 0.82 PRMT5 (0.55) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL9527451 0.82 PRMT5 (0.57) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL30023801 0.82 NOTUM (0.58) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL4072403 0.81 HPGD (0.70) SMN1; SMN2HPGDTSHRHSD17B10HDAC3
SCHEMBL22032274 0.80 PRMT5 (0.61) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL16268868 0.80 ALDH1A1 (0.64) SMN1; SMN2HPGDTSHRPRMT5WDR77
SCHEMBL324228 0.79 TMEM97 (0.67) PRMT5WDR77MEN1KMT2ANPC1

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
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed