SCHEMBL9345532

SCHEMBL9345532

CCCCC(OC1CCCOC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PDE4D Q08499 5/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
DPP7 Q9UHL4 1/20 0.33
ACACB O00763 1/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL9649930 0.95 NAAA (0.41) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL26940466 0.80 CA2 (0.47) NAAACA2MAPK1PTGESALOX5
SCHEMBL5528479 0.78 NAAA (0.47) NAAACA2MAPK1
SCHEMBL9344140 0.75 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL8661247 0.74 CYP2C19 (0.41) PDE4DPDE4APDE4BPDE4CACACB
SCHEMBL4100097 0.73 CA2 (0.38) CA2MAPK1PTGESALOX5PPARG
SCHEMBL9345699 0.72 NAAA (0.33) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL9806439 0.72 NAAA (0.61) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL10551706 0.71 NAAA (0.36) NAAAPDE4D
SCHEMBL18974981 0.71 NAAA (0.69) NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5275756-A Pyrimidine ether compounds for electrooptical elements TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-04 US disclosed
EP-0469893-A1 Fluorinated pyrimidine-phenyl optically active compounds and liquid crystal compositions thereof Takasago International Corporation (JP) 1992-02-05 EP disclosed