SCHEMBL9531191

SCHEMBL9531191

COC(=O)C(=Cc1c(C(C)C)nn2ccccc12)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.49
PDE5A O76074 6/20 0.49
PDE3A Q14432 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MIF P14174 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
PDE4A P27815 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49

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
SCHEMBL9531184 1.00 PDE4B (0.49) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL9533201 0.84 MAPT (0.44) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL9533197 0.84 MAPT (0.44) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3196384 0.80 PDE4B (0.54) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3205869 0.74 PDE4B (0.56) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3205161 0.71 PDE4B (0.53) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3197550 0.71 PDE4B (0.53) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3193018 0.71 PDE4B (0.53) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3185488 0.71 PDE5A (0.50) PDE4BPDE5APDE3ANPSR1MIF
SCHEMBL3185480 0.71 PDE5A (0.50) PDE4BPDE5APDE3ANPSR1MIF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270926-B1 AGENTS PROMOTING THE ACTIVITY OF SOME ANTITUMOR AGENTS AND METHODS FOR THEIR PRODUCTION KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-03-17 EP disclosed
US-4923871-A ANTITUMOR KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-08 US disclosed
EP-0270926-A2 Agents promoting the activity of some antitumor agents and methods for their production KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1988-06-15 EP disclosed