SCHEMBL8978016

SCHEMBL8978016

CC(=O)c1c(C(C)O)nn2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.61
PDE5A O76074 6/20 0.61
PDE3A Q14432 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MIF P14174 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
PDE4A P27815 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE3B Q13370 1/20 0.61

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
SCHEMBL7816050 1.00 PDE4B (0.61) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL3197152 0.89 PDE4B (0.76) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL3203334 0.78 PDE4B (0.81) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL5848990 0.78 ALDH1A1 (0.51) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL7815839 0.78 ALDH1A1 (0.51) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL653503 0.77 PDE4B (0.76) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL655570 0.77 MIF (0.78) PDE4BPDE5APDE3AALDH1A1MIF
SCHEMBL11721382 0.77 MIF (0.54) PDE4BPDE5APDE3AALDH1A1MIF
Hydrochloric Acid SCHEMBL9137257 0.76 PDE4B (0.50) PDE4BPDE5APDE3AALDH1A1MIF
Hydrochloric Acid SCHEMBL8977958 0.76 PDE4B (0.50) PDE4BPDE5APDE3AALDH1A1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed