SCHEMBL7656369

SCHEMBL7656369

CC(C)c1ccc(OC2CCC(=O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ACACB O00763 12/20 0.43
NAAA Q02083 1/20 0.41
FFAR1 O14842 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL13720815 0.85 ACACB (0.49) KMT2AMEN1ACACBNAAAFFAR1
SCHEMBL20306371 0.82 ACACB (0.51) KMT2AMEN1ACACBFFAR1NPSR1
SCHEMBL12160713 0.82 ACACB (0.51) KMT2AMEN1ACACBFFAR1NPSR1
SCHEMBL29152373 0.80 NPSR1 (0.51) KMT2AMEN1ACACBFFAR1NPSR1
SCHEMBL5520546 0.80 SLC6A4 (0.51) KMT2AMEN1
SCHEMBL18234087 0.80 HTR2A (0.42) KMT2AMEN1NAAA
SCHEMBL13439687 0.80 NPSR1 (0.51) KMT2AMEN1ACACBFFAR1NPSR1
SCHEMBL7660770 0.80 SMN1; SMN2 (0.51) DDB1CRBN
SCHEMBL13439689 0.79 ACACB (0.44) KMT2AMEN1ACACBNAAAFFAR1
SCHEMBL2016296 0.78 EPHX2 (0.43) HRH3

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
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 EP disclosed