SCHEMBL10947809

SCHEMBL10947809

Cc1ccccc1C1C(=O)C2CCCCC2C1=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 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
PARP1 P09874 1/20 0.40
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
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
NOS1 P29475 2/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PBRM1 Q86U86 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL11215533 0.96 DDB1 (0.46) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL11215343 0.84 DDB1 (0.40) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL10909372 0.82 DDB1 (0.36) DDB1CRBNHTR2CHTR2AHTR2B
SCHEMBL11216721 0.79 NOS3 (0.43) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL11215620 0.79 NOS3 (0.43) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL1643791 0.76 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1ASLC6A9
SCHEMBL1643782 0.76 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1ASLC6A9
SCHEMBL1643784 0.76 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1ASLC6A9
SCHEMBL11216362 0.75 NOS3 (0.46) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL8125269 0.75 HTR2C (0.46) DDB1CRBNHTR2CHTR2AHTR2B

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
US-4338122-A MITICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US claimed
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 US disclosed
US-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 US disclosed
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