SCHEMBL9309282

SCHEMBL9309282

c1cc(CCOCC2CCOCC2)cc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.48
CYSLTR1 Q9Y271 1/20 0.41
FFAR1 O14842 1/20 0.40
PRKDC P78527 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP2D6 P10635 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 0.91 ALOX5 (0.52) ALOX5PRKDCCYP2D6
SCHEMBL13097002 0.79 MAOB (0.47) CYP4F2CYP4A11CYP2D6
SCHEMBL9308599 0.79 ALOX5 (0.45) ALOX5PRKDCCYP2D6
SCHEMBL9308523 0.75 ALOX5 (0.62) ALOX5CYP2D6
SCHEMBL9308712 0.75 ALOX5 (0.43) ALOX5CYP2D6
SCHEMBL9308988 0.75 ALOX5 (0.35) ALOX5CYP2D6
SCHEMBL9310099 0.74 ALOX5 (0.48) ALOX5PRKDC
SCHEMBL9309603 0.73 ALOX5 (0.60) ALOX5CYP2D6
SCHEMBL9308093 0.72 MRGPRX4 (0.51) ALOX5
SCHEMBL16150040 0.71 SLC2A1 (0.49) CYP2D6

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