SCHEMBL10689136

SCHEMBL10689136

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(S(C)(=O)=O)ccc1OCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
MAPT P10636 8/20 0.46
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42
GAA P10253 5/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ABCC4 O15439 1/20 0.40
PLIN1 O60240 1/20 0.40
CACNA1F O60840 1/20 0.40
GMNN O75496 1/20 0.40
KCNK2 O95069 1/20 0.40

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
SCHEMBL10688906 0.91 ALDH1A1 (0.42) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL9689854 0.85 HSD17B10 (0.50) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL9824624 0.83 DRD1 (0.42) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL9824685 0.82 MAPT (0.43) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL10691974 0.80 HSD17B10 (0.54) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL10686314 0.76 ATM (0.44) MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9825048 0.75 KEAP1 (0.40) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL9672675 0.75 ADORA3 (0.65) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL9674762 0.74 ADORA3 (0.64) HSD17B10MAPTTSHRALDH1A1LMNA
SCHEMBL9824964 0.73 CACNA1C (0.49) MAPTTSHRALDH1A1LMNAMAPK1

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-4727082-A CARDIOVASCULAR DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
EP-0167371-A2 Dihydropyridine compounds, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-01-08 EP disclosed