SCHEMBL11640261

SCHEMBL11640261

CCNc1ccc(OC)c(OC)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
PGK1 P00558 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL20969624 0.85 PDE4B (0.39) PDE4BPDE4DALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL27668275 0.84 PDE4B (0.38) PDE4BPDE4DALDH1A1GAAKDM4E
SCHEMBL6380564 0.83 PDE4B (0.43) PDE4BPDE4DALDH1A1GAATSHR
SCHEMBL11454393 0.79 DYRK1A (0.39) PDE4BPDE4DALDH1A1GAATSHR
SCHEMBL7399442 0.79 PDE4B (0.40) PDE4BPDE4DALDH1A1GAATSHR
SCHEMBL4778825 0.76 PDE4B (0.43) PDE4BPDE4DALDH1A1GAATSHR
SCHEMBL9024006 0.75 PDE4B (0.43) PDE4BPDE4DALDH1A1TSHRMAPK1
SCHEMBL9132120 0.74 SMN1; SMN2 (0.47) PDE4BPDE4DALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL14999713 0.74 PDE4B (0.42) PDE4BPDE4DALDH1A1GAATSHR
SCHEMBL14655577 0.73 PGK1 (0.40) PDE4BPDE4DALDH1A1GAATSHR

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-4111957-A DOPAMINERGIC SMITHKLINE CORPORATION (US) 1978-09-05 US disclosed