SCHEMBL9310099

SCHEMBL9310099

c1cc(NNCC2CCOCC2)cc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.48
PRKDC P78527 1/20 0.42
F10 P00742 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39

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
SCHEMBL9308680 0.77 ALOX5 (0.52) ALOX5PRKDCTLR4TLR2
SCHEMBL9309282 0.74 ALOX5 (0.48) ALOX5PRKDC
SCHEMBL9308093 0.72 MRGPRX4 (0.51) ALOX5
SCHEMBL9308170 0.71 ALOX5 (0.52) ALOX5PRKDC
SCHEMBL9308599 0.71 ALOX5 (0.45) ALOX5PRKDC
SCHEMBL25890731 0.69 ALOX5 (0.51) ALOX5
SCHEMBL25890274 0.67 ALOX5 (0.51) ALOX5
SCHEMBL9136374 0.67 ALOX5 (0.71) ALOX5
SCHEMBL9135427 0.67 ALOX5 (0.71) ALOX5
SCHEMBL12938497 0.66 ALOX5 (0.78) ALOX5TLR4TLR2

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
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO claimed
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed