SCHEMBL11366161

SCHEMBL11366161

CC(C)C(=O)Nc1cc(C2=NNC(=O)CC2C)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.57
PDE3A Q14432 17/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
GALR3 O60755 2/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL11360455 0.87 PDE3B (0.73) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7307747 0.87 PDE3B (0.60) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11289838 0.82 PDE3B (0.55) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10521593 0.79 SMN1; SMN2 (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10520901 0.78 PDE3B (0.50) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10520775 0.77 SMN1; SMN2 (0.52) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10520647 0.77 SMN1; SMN2 (0.49) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11097056 0.77 GALR3 (0.64) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL9688046 0.77 PDE3B (0.63) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10520011 0.76 SMN1; SMN2 (0.51) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1

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
EP-0034743-A1 Benzoxazoles, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-09-02 EP disclosed