SCHEMBL9863124

SCHEMBL9863124

CN(C)c1cc(C2=NCCO2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.37
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LTA4H P09960 1/20 0.33
ALOX5 P09917 1/20 0.33
MMP13 P45452 1/20 0.32
SCARB1 Q8WTV0 1/20 0.32
LSS P48449 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
SCHEMBL9668282 0.81 HSD17B1 (0.41) SCARB1
SCHEMBL9863041 0.78 ESR1 (0.39) KCNH2HRH3LTA4HALOX5LSS
SCHEMBL9862880 0.78 ALDH1A1 (0.44) KCNH2HRH3LTA4HALOX5
SCHEMBL9666810 0.78 ESR2 (0.44) LSS
SCHEMBL9668261 0.78 ESR1 (0.41)
SCHEMBL9863172 0.77 HSP90AA1 (0.39)
SCHEMBL9863435 0.77 ALDH1A1 (0.43)
SCHEMBL9666112 0.77 POLB (0.47) ALOX5
SCHEMBL9863426 0.77 HSD17B1 (0.45)
SCHEMBL9862864 0.76 MCL1 (0.39) MMP13LSS

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
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed