SCHEMBL9518304

SCHEMBL9518304

CC1(C)OCc2cc(-n3cnc(CO)c3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NOTUM Q6P988 2/20 0.33
KCNH2 Q12809 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 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
SCHEMBL4435626 0.75 PDE3B (0.43) PDE3BPDE3ANOTUMKCNH2CA1
SCHEMBL9518264 0.74 ALDH1A1 (0.32) PDE3BPDE3A
Hydrochloric Acid SCHEMBL10543233 0.74 ALDH1A1 (0.34) PDE3BPDE3A
SCHEMBL4423214 0.73 RXRA (0.45) PDE3BPDE3ANOTUM
SCHEMBL4429082 0.72 NOTUM (0.60) PDE3BPDE3ANOTUM
SCHEMBL6155424 0.71 CYP4F2 (0.36)
SCHEMBL4425470 0.71 PDE3B (0.47) PDE3BPDE3ANOTUMCA1CA2
SCHEMBL4427890 0.69 NOTUM (0.55) PDE3BPDE3ANOTUM
SCHEMBL4429999 0.68 RXRA (0.41) PDE3BPDE3ANOTUMKCNH2
SCHEMBL6189927 0.66 PTGS2 (0.38)

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-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed