SCHEMBL6739715

SCHEMBL6739715

C[CH]CCOC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATM Q13315 1/20 0.30
GRIN2D O15399 3/20 0.30

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
SCHEMBL7535343 0.81 NPSR1 (0.36) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL482480 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL2084359 0.79 ALDH1A1 (0.37) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL6739719 0.78 DPP8 (0.40) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL8490716 0.78 ALDH1A1 (0.33) ALDH1A1NPSR1MEN1HTTKMT2A
Ammonia Solution, Strong SCHEMBL11635039 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL1324879 0.77 EPHX2 (0.42) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL19798444 0.76 NPSR1 (0.43) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL2340118 0.74 ALDH1A1 (0.39) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL5933278 0.73 ALDH1A1 (0.37) ALDH1A1NPSR1MEN1HTTKMT2A

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-20040076902-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed