SCHEMBL9865597

SCHEMBL9865597

CCOC(=O)CCCc1coc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TOP2A P11388 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL19006409 0.91 CYP4F2 (0.45) CYP1A2CYP4F2CYP4A11TOP2ACYP4Z1
SCHEMBL5295531 0.81 MEN1 (0.51) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19013804 0.76 CYP4F2 (0.43) CYP1A2CYP4F2CYP4A11TOP2ACYP4Z1
SCHEMBL3884465 0.73 CYP4F2 (0.48) CYP1A2CYP4F2CYP4A11ALOX5CYP3A4
SCHEMBL15821166 0.71 CYP4F2 (0.46) CYP1A2CYP4F2CYP4A11ALOX5CYP3A4
SCHEMBL27408432 0.71 ALDH1A1 (0.51) CYP1A2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5759014 0.71 CYP4F2 (0.41) CYP4F2CYP4A11TOP2ACYP4Z1CYSLTR2
SCHEMBL3928245 0.71 CYP1A2 (0.44) CYP1A2CYP4F2CYP4A11ALOX5CYP3A4
SCHEMBL4385060 0.70 CYP1A2 (0.46) CYP1A2CYP4F2CYP4A11ALOX5CYP3A4
SCHEMBL1859504 0.70 CYP1A2 (0.57) CYP1A2CYP4F2CYP4A11ALOX5CYP3A4

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-5045561-A Substituted furan sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1991-09-03 US disclosed