SCHEMBL9782004

SCHEMBL9782004

CCCCCCCCCCN1CCCN(OCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.43
KCNH2 Q12809 1/20 0.40
FKBP1A P62942 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CETP P11597 3/20 0.39
PREP P48147 1/20 0.38

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
SCHEMBL9781753 0.91 EEF2K (0.42) EEF2KKCNH2FKBP1AALDH1A1CETP
SCHEMBL19055901 0.84 ALDH1A1 (0.45) ALDH1A1PREP
SCHEMBL18655950 0.76 ALDH1A1 (0.47) ALDH1A1PREP
SCHEMBL4602393 0.75 DRD2 (0.52)
SCHEMBL17836960 0.74 ALOX5 (0.47) ALDH1A1
SCHEMBL2084509 0.74 ALDH1A1 (0.39) KCNH2ALDH1A1
SCHEMBL4602079 0.73 ALOX5 (0.46) ALDH1A1
SCHEMBL14917572 0.72 ALOX5 (0.44) ALDH1A1
SCHEMBL6561542 0.70 ALOX5 (0.44) ALDH1A1
SCHEMBL27677921 0.70 ALOX5 (0.44) ALDH1A1

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-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 US disclosed