SCHEMBL7270215

SCHEMBL7270215

CCCCc1nc(C)c(COC(C)=O)n1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
PDE4B Q07343 1/20 0.40
APLNR P35414 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TLR8 Q9NR97 2/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6968208 0.83 TLR8 (0.45) AGTR1AGTR2APLNRALDH1A1TLR8
SCHEMBL7216579 0.81 TLR8 (0.41) APLNRALDH1A1TLR8LMNAKDM4E
Hydrochloric Acid SCHEMBL7631242 0.80 HTR2A (0.40) APLNRALDH1A1TLR8LMNAKDM4E
SCHEMBL27748327 0.78 TSHR (0.42) PDE4BAPLNRALDH1A1LMNAMAPK1
SCHEMBL9856773 0.78 ALDH1A1 (0.46) APLNRALDH1A1TLR8LMNAKDM4E
SCHEMBL4542850 0.77 LMNA (0.42) AGTR1AGTR2ALDH1A1LMNAKDM4E
SCHEMBL7270020 0.75 ALDH1A1 (0.41) AGTR1AGTR2APLNRALDH1A1TLR8
SCHEMBL9857429 0.74 SCN3A (0.44)
SCHEMBL9856774 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL27461046 0.73 ALDH1A1 (0.42) APLNRALDH1A1TLR8LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO disclosed
EP-0425211-A1 Substituted 5-((tetrazolyl)alkenyl)-imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-05-02 EP disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed