SCHEMBL7040318

SCHEMBL7040318

O=[N+]([O-])c1cc(C[C@@H](CO)N(Cc2ccccc2)CC(O)COc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.40
CTSL P07711 4/20 0.40
POLB P06746 2/20 0.39
PDCD1 Q15116 7/20 0.39
CD274 Q9NZQ7 7/20 0.39
PTGES O14684 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL7044399 1.00 CTSV (0.40) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7039646 0.93 KMT2A (0.40) CTSVCTSLPOLBPTGESALDH1A1
SCHEMBL7244637 0.92 CTSV (0.41) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7037727 0.90 GAA (0.43) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7042572 0.89 KMT2A (0.44) CTSVCTSLPDCD1CD274ALDH1A1
SCHEMBL7037102 0.85 MAPT (0.39) PTGESADRB1ADRB3ALDH1A1MEN1
SCHEMBL7245999 0.85 CTSV (0.41) CTSVCTSLPOLBPDCD1CD274
SCHEMBL7042799 0.84 POLB (0.43) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL6539571 0.84 GAA (0.50) ALDH1A1MEN1MAPTKMT2A
SCHEMBL7039802 0.83 MEN1 (0.41) CTSVCTSLPOLBPDCD1CD274

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
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed