SCHEMBL17613985

SCHEMBL17613985

COc1c(C)ccc(-c2ccc3c(c2)COC3=O)c1OCC(=O)OCC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 5/20 0.40
POLQ O75417 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE4D Q08499 6/20 0.38
MAPT P10636 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
PTPN11 Q06124 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IMPDH2 P12268 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2585852 0.91 PDE4D (0.43) PRF1POLQMAOAMAOBPDE4D
SCHEMBL2591371 0.87 PDE4D (0.43) PRF1POLQPDE4DABCG2IMPDH2
SCHEMBL2585714 0.87 PRF1 (0.42) PRF1POLQMAOAMAOBPDE4D
SCHEMBL17613825 0.85 HSD17B1 (0.36) PDE4DMAPTACHE
SCHEMBL17614022 0.83 PDE4D (0.42) PRF1POLQMAOAMAOBPDE4D
SCHEMBL2588346 0.83 PRF1 (0.44) PRF1POLQPDE4DABCG2
SCHEMBL14737012 0.81 PRF1 (0.46) PRF1POLQPDE4DABCG2IMPDH2
SCHEMBL17613873 0.80 PRF1 (0.39) PRF1POLQMAOAMAOBPDE4D
SCHEMBL2587910 0.79 PDE4D (0.49) PRF1PDE4DMAPTABCG2IMPDH2
SCHEMBL2592221 0.79 PDE4D (0.47) PRF1POLQMAOAMAOBPDE4D

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-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed