SCHEMBL7692131

SCHEMBL7692131

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(Oc3ccnc4ccccc34)cc2)COC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.39
AXL P30530 2/20 0.39
MERTK Q12866 1/20 0.39
SSTR4 P31391 1/20 0.38
KDR P35968 5/20 0.36
LCK P06239 2/20 0.36
PDGFRA P16234 3/20 0.36
FAP Q12884 2/20 0.36
ADAM17 P78536 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36
FGFR2 P21802 1/20 0.35
KIT P10721 1/20 0.34
TEK Q02763 1/20 0.34

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
SCHEMBL6492398 0.92 SSTR4 (0.39) METAXLMERTKSSTR4KDR
SCHEMBL6489302 0.81 HSD17B10 (0.41) METAXLMERTKKDRPDGFRA
SCHEMBL6489308 0.81 HSD17B10 (0.41) METAXLMERTKKDRPDGFRA
SCHEMBL14350826 0.80 SPHK1 (0.42)
SCHEMBL14338696 0.80 SPHK1 (0.42)
SCHEMBL6924329 0.80 SPHK1 (0.42)
SCHEMBL6481261 0.78 CARM1 (0.43) ADAM17
SCHEMBL6481265 0.78 CARM1 (0.43) ADAM17
SCHEMBL7686350 0.77 SPHK1 (0.41)
SCHEMBL3617792 0.76 SPHK1 (0.41)

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed