SCHEMBL10654243

SCHEMBL10654243

CC(C)CCC[C@H](C)CCCc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
RARB P10826 7/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 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
SCHEMBL24370665 0.93 GRIN2D (0.71) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL26298725 0.88 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL13548350 0.87 RARB (0.61) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10601735 0.87 GRIN2D (0.52) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10485816 0.87 GRIN2D (0.52) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10356210 0.87 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10356642 0.87 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10356640 0.87 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10356173 0.87 GRIN2D (0.63) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10485692 0.85 GRIN2D (0.54) GRIN2DGRIN2AGRIN2BGRIN2CRARB

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-0257048-A1 OPTICALLY ACTIVE COMPOUNDS. MERCK PATENT GMBH (DE) 1988-03-02 EP disclosed
WO-1987005018-A2 OPTICALLY ACTIVE COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 WO disclosed