SCHEMBL8874622

SCHEMBL8874622

CCC(OC(C)=O)c1cc(CC#N)no1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 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
SCHEMBL8874054 0.83 ALDH1A1 (0.41) ALDH1A1LMNAHSP90AA1HSP90AB1HIF1A
SCHEMBL8876294 0.76 HSP90AA1 (0.39) ALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL8876030 0.75 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL8874887 0.72 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL31382210 0.71 SMN1; SMN2 (0.39) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL23174841 0.65 MAPT (0.37) ALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL27909594 0.63 LMNA (0.40) ALDH1A1LMNA
SCHEMBL16389913 0.62 LMNA (0.40) ALDH1A1LMNAHIF1AEPAS1
SCHEMBL9799545 0.62 KMT2A (0.50) ALDH1A1LMNA
SCHEMBL9608808 0.61 PABPC1 (0.55) ALDH1A1LMNA

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-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed