SCHEMBL10830241

SCHEMBL10830241

CCC1=C(C(=O)OC)C(c2cc(C)cc(C)c2)C2=C(N1)C(C)OC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
POLB P06746 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL10830240 0.84 CACNA1F (0.47) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F
SCHEMBL10830282 0.80 ADORA3 (0.45) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F
SCHEMBL10830235 0.68 TSHR (0.59) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F
SCHEMBL10830305 0.66 KDM4E (0.60) ADORA3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL7377459 0.66 KDM4E (0.51) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F
SCHEMBL10950737 0.62 ALDH1A1 (0.52) ADORA3ALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7434340 0.59 ADORA3 (0.62) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F
SCHEMBL7245896 0.59 ADORA3 (0.57) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F
SCHEMBL8915432 0.58 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10MEN1HPGD
SCHEMBL10830287 0.57 HSD17B10 (0.44) ADORA3KDM4EALDH1A1SMN1; SMN2CACNA1F

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-4567268-A Process for preparation of certain tetrahydrofuro[3,4-b]pyridines MERCK & CO., INC. (US) 1986-01-28 US disclosed