SCHEMBL10830282

SCHEMBL10830282

CCC1=C(C(=O)OC)C(c2cc(C)cc(C)c2)C(C(=O)OC)=C(CC)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10830235 0.81 TSHR (0.59) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL10830241 0.80 ADORA3 (0.37) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL10950737 0.76 ALDH1A1 (0.52) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL10830287 0.72 HSD17B10 (0.44) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL7245896 0.72 ADORA3 (0.57) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL4118573 0.71 ALDH1A1 (0.41) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL7434340 0.67 ADORA3 (0.62) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL7951620 0.66 CACNA1C (0.71) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL28735975 0.66 TSHR (0.56) ADORA3MEN1KMT2AALDH1A1TSHR
SCHEMBL10675403 0.66 KDM4E (0.69) ADORA3MEN1KMT2AALDH1A1TSHR

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