SCHEMBL11215533

SCHEMBL11215533

Cc1ccccc1C1C(=O)C2CCCC2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
HTR2C P28335 4/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PARP1 P09874 1/20 0.37
PBRM1 Q86U86 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SLC6A9 P48067 1/20 0.36

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
SCHEMBL10947809 0.96 DDB1 (0.46) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL11215343 0.87 DDB1 (0.40) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL10909372 0.79 DDB1 (0.36) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL11216362 0.79 NOS3 (0.46) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL5004304 0.76 KDM1A (0.47) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL3841365 0.76 KDM1A (0.47) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL11216721 0.75 NOS3 (0.43) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL11215620 0.75 NOS3 (0.43) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL11215167 0.72 DDB1 (0.47) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL1643791 0.72 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1ANOS1

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-4338122-A MITICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed
US-4283348-A SODIUM ETHOXIDE PROMOTED CYCLIZATION OF LEVULINIC ACID ESTERS UNION CARBIDE CORPORATION (US) 1981-08-11 US disclosed