Nopol

Nopol

SCHEMBL7925157

CC1(C)C2CC=C(CCO)C1C2.COC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 2/20 0.49
CXCR3 P49682 15/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46

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
Nopol SCHEMBL17187721 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL5309650 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL9723502 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL8610441 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL114153 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL10687292 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL7760931 0.95 TSHR (0.55) KCNH2TSHRKDM4EHTTTDP1
Nopol SCHEMBL2302936 0.92 KCNH2 (0.55) KCNH2TSHRKDM4EHTTTDP1
SCHEMBL31033376 0.85 TSHR (0.52) KCNH2TSHRKDM4EHTTTDP1
SCHEMBL31033380 0.85 TSHR (0.52) KCNH2TSHRKDM4EHTTTDP1

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-6235808-B1 Radiation-curable cycloaliphatic epoxy compounds, uses thereof, and compositions containing them RENSSELAER POLYTECHNIC INSTITUTE 2001-05-22 US disclosed