SCHEMBL8714208

SCHEMBL8714208

COC(=O)c1cc([C@@H](O)[C@H](N)C(C)Cc2ccccc2)ccc1OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.47
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
PDE4D Q08499 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE5A O76074 1/20 0.41

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
SCHEMBL8714212 1.00 PDE4A (0.47) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL7148778 0.81 ADRB3 (0.65) PDE4AADRB1ADRB3
SCHEMBL7148774 0.81 ADRB3 (0.65) PDE4AADRB1ADRB3
SCHEMBL7151638 0.77 PDE5A (0.43) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL8714216 0.75 PDE4A (0.42) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL8714220 0.75 PDE4A (0.42) PDE4AADRB1ADRB3PDE4DPDE4B
SCHEMBL7563721 0.69 PDE5A (0.50) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL7341124 0.69 PDE4A (0.78) PDE4APDE4DPDE4BPDE4C
SCHEMBL5332642 0.68 PDE5A (0.57) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL7911022 0.67 PDE4A (0.85) PDE4APDE4DPDE4BPDE4C

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed