SCHEMBL9490034

SCHEMBL9490034

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.58
▸ TSHR P16473 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ GPR88 Q9GZN0 2/20 0.41

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
SCHEMBL9490038 1.00 MAPT (0.58) MAPTTSHRGAAFFAR1L3MBTL1
SCHEMBL9487539 0.89 TSHR (0.50) MAPTTSHRGAAL3MBTL1KMT2A
SCHEMBL9487537 0.89 TSHR (0.50) MAPTTSHRGAAL3MBTL1KMT2A
SCHEMBL9496762 0.88 GAA (0.59) MAPTTSHRGAAL3MBTL1KMT2A
SCHEMBL9488621 0.88 KMT2A (0.55) MAPTTSHRGAAL3MBTL1KMT2A
SCHEMBL9488625 0.88 KMT2A (0.55) MAPTTSHRGAAL3MBTL1KMT2A
SCHEMBL9488749 0.86 KMT2A (0.56) MAPTTSHRGAAL3MBTL1KMT2A
SCHEMBL10799770 0.85 MAPT (0.53) MAPTTSHRGAAFFAR1L3MBTL1
SCHEMBL27536527 0.85 MAPT (0.60) MAPTGAAFFAR1L3MBTL1KMT2A
SCHEMBL10799779 0.85 MAPT (0.53) MAPTTSHRGAAFFAR1L3MBTL1

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 5 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
EP-0168043-A2 Liquid crystal phase MERCK PATENT GmbH (DE) 1986-01-15 — — EP disclosed
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