SCHEMBL9489474

SCHEMBL9489474

CC[C@@H](C)COc1ccc(C(=O)OCC(OC(=O)c2ccc(OC[C@H](C)CC)cc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
MAPT P10636 2/20 0.54
GPR88 Q9GZN0 11/20 0.49
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL9489480 1.00 FFAR1 (0.57) FFAR1MAPTGPR88GAAMEN1
SCHEMBL9488760 0.91 GPR88 (0.53) GPR88
SCHEMBL9488765 0.91 GPR88 (0.53) GPR88
SCHEMBL9487480 0.89 MAPT (0.49) FFAR1MAPTGPR88GAAMEN1
SCHEMBL9487487 0.89 MAPT (0.49) FFAR1MAPTGPR88GAAMEN1
SCHEMBL9488693 0.89 GAA (0.50) MAPTGAAKMT2AADRB2ADRB1
SCHEMBL9488748 0.87 KMT2A (0.50) MAPTGAAMEN1KMT2A
SCHEMBL9488768 0.85 TSHR (0.51) MAPTMEN1KMT2AADRB2ADRB1
SCHEMBL9490540 0.85 ADRB2 (0.54) MAPTGPR88KMT2AADRB2ADRB1
SCHEMBL9487982 0.84 MAPT (0.52) FFAR1MAPTADRB2ADRB1ADRB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168043-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1990-11-07 EP claimed
US-5236618-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-17 US disclosed
EP-0168043-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1990-11-07 EP disclosed
US-4744918-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-05-17 US disclosed