SCHEMBL22697440

SCHEMBL22697440

COc1cc(-c2ccc(OC#N)c(OC)c2)ccc1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.51
▸ CD274 Q9NZQ7 2/20 0.51
▸ PDE4A P27815 5/20 0.44
▸ PDE4B Q07343 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ PDE4D Q08499 4/20 0.44
▸ PDE5A O76074 2/20 0.44
▸ PDE1A P54750 2/20 0.44
▸ PDE1B Q01064 2/20 0.44
▸ PDE3B Q13370 2/20 0.44
▸ PDE1C Q14123 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NAAA Q02083 1/20 0.37
▸ ABCB1 P08183 1/20 0.36

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
SCHEMBL20130814 0.85 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL17174002 0.81 PDCD1 (0.42) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL20367423 0.78 S1PR1 (0.46) PDE4AHSD17B10ALDH1A1MAPTPRKCZ
SCHEMBL22193620 0.78 PDGFRB (0.44) PDE4AHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL6497164 0.76 PDCD1 (0.62) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL8028294 0.76 PDCD1 (0.58) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL15430559 0.75 ALDH1A1 (0.62) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL8021476 0.73 S1PR1 (0.52) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL2773606 0.72 PDCD1 (0.62) PDCD1CD274HSD17B10ALDH1A1MAPK1
SCHEMBL3551458 0.72 AR (0.47) PDCD1CD274PDE4APDE4BPDE4C

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-3345967-B1 INK COMPOSITION FOR INKJET RECORDING, METHOD FOR MANUFACTURING THE SAME, AND INKJET RECORDING METHOD FUJIFILM CORP (JP) 2020-11-25 — — EP disclosed
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