SCHEMBL9547459

SCHEMBL9547459

COc1cc(F)c(F)cc1OCCCCCOc1ccc(C(=N)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.64
PRMT1 Q99873 3/20 0.63
F2 P00734 3/20 0.63
ST14 Q9Y5Y6 3/20 0.63
PLAU P00749 2/20 0.63
PRMT5 O14744 1/20 0.63
SLC22A2 O15244 1/20 0.63
SLC22A1 O15245 1/20 0.63
TMPRSS2 O15393 1/20 0.63
PTP4A3 O75365 1/20 0.63
SLC22A3 O75751 1/20 0.63
F10 P00742 1/20 0.63
PLG P00747 1/20 0.63
S100B P04271 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM4 P08173 1/20 0.63
CHRM5 P08912 1/20 0.63
ADRA2A P08913 1/20 0.63
CYP2D6 P10635 1/20 0.63
AOC1 P19801 1/20 0.63

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
SCHEMBL9547428 0.93 LTB4R (0.60) PRSS1PRMT1F2ST14PLAU
SCHEMBL9547436 0.88 PRSS1 (0.63) PRSS1PRMT1F2ST14PLAU
SCHEMBL9547445 0.83 PRMT1 (0.71) PRSS1PRMT1F2ST14PLAU
SCHEMBL9547437 0.82 LTB4R (0.59) PRSS1PRMT1F2ST14PLAU
SCHEMBL9547441 0.81 LTB4R (0.63) PRSS1PRMT1F2ST14PLAU
Hydrochloric Acid SCHEMBL9547451 0.81 PRSS1 (0.70) PRSS1PRMT1F2ST14PLAU
SCHEMBL9547462 0.81 ALDH1A1 (0.52) PRSS1PRMT1F2ST14PLAU
SCHEMBL12989557 0.80 F2 (0.76) PRSS1PRMT1F2ST14PLAU
SCHEMBL14599639 0.80 PRMT1 (1.00) PRSS1PRMT1F2ST14PLAU
Pentamidine SCHEMBL3329 0.80 PRMT1 (1.00) PRSS1PRMT1F2ST14PLAU

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-5246965-A Leukotriene antagonist CIBA-GEIGY (US) 1993-09-21 US claimed
EP-0518818-A2 Arylethers, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP claimed
EP-0518818-A2 Arylethers, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed