SCHEMBL8390797

SCHEMBL8390797

CCCCCCCCOc1ccnc(C2CCC(=O)c3c2cc(OCCCCCCCC)nc3F)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
CRBN Q96SW2 1/20 0.33
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL8394566 0.84 FFAR4 (0.34) FFAR4GPR84HTR3EHTR3BHTR3A
SCHEMBL8390331 0.82 PDE5A (0.34) GPR84HTR3EHTR3BHTR3AHTR3D
SCHEMBL8294020 0.70 THRA (0.38) GPR84CRBNHTR3EHTR3BHTR3A
SCHEMBL8298273 0.69 GPR84 (0.34) GPR84HTR3EHTR3BHTR3AHTR3D
SCHEMBL8301428 0.67 THRA (0.34) GPR84HTR3EHTR3BHTR3AHTR3D
SCHEMBL8394574 0.67 PDE5A (0.37) GPR84HTR3EHTR3BHTR3AHTR3D
SCHEMBL8479287 0.64 PDE5A (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27972350 0.63 CYP3A4 (0.40)
SCHEMBL8395920 0.62 SOAT1 (0.36) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8362632 0.61 FFAR4 (0.38) FFAR4THRATHRB

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-5874023-A ELECTROOPTICS, DISPLAYS HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed