SCHEMBL21394819

SCHEMBL21394819

CCOc1ccc(C(=O)OC)cn1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GABRA5 P31644 12/20 0.50
NNMT P40261 1/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL31215048 0.85 MAPK1 (0.57) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL23537708 0.85 MAPK1 (0.57) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL65277 0.84 NNMT (0.68) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL23537880 0.83 MAPK1 (0.56) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL796493 0.82 MAPT (1.00) MAPTL3MBTL1GABRA5NNMTALDH1A1
SCHEMBL1092552 0.82 MAPT (0.74) MAPTMAPK1L3MBTL1NNMTALDH1A1
SCHEMBL19590814 0.82 MAPK1 (0.54) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL23538185 0.82 MAPK1 (0.54) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL4843142 0.82 MAPK1 (0.54) MAPTMAPK1KDM4EL3MBTL1GABRA5
SCHEMBL1091622 0.81 MAPT (0.68) MAPTGABRA5

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed