SCHEMBL7651087

SCHEMBL7651087

CCc1ccccc1ON1C(C)(C)CCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
HDAC4 P56524 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL8148236 0.83 HRH3 (0.37) KMT2AMEN1SLC6A3CYP2C19HRH3
SCHEMBL2356015 0.78 TDP1 (0.39) KMT2AMAPTMEN1NPSR1KDM4E
SCHEMBL8605624 0.77 TP53 (0.42) KMT2AMAPTMEN1KDM4ETSHR
SCHEMBL7027544 0.76 ELANE (0.41) KMT2AMEN1HSD17B10
Alcohol SCHEMBL27455943 0.75 TDP1 (0.35) KMT2AMEN1KDM4ETSHRHPGD
SCHEMBL8188494 0.75 KMT2A (0.49) L3MBTL1KMT2AMAPTMEN1NPSR1
SCHEMBL6501299 0.72 CA4 (0.34) KDM4ETSHRHSD17B10SLC6A2SLC6A4
SCHEMBL12227559 0.67 KMT2A (0.33) L3MBTL1KMT2AMEN1TSHRHPGD
SCHEMBL2091231 0.67 L3MBTL1 (0.42) L3MBTL1KMT2AMAPTMEN1NPSR1
SCHEMBL6544243 0.67 TSHR (0.44) L3MBTL1KMT2AMAPTMEN1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966489-A4 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION UNIV CARNEGIE MELLON (US) 2002-03-06 EP disclosed
EP-0966489-A1 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION CARNEGIE MELLON UNIVERSITY (US) 1999-12-29 EP disclosed
WO-1998040415-A1 IMPROVEMENTS IN ATOM OR GROUP TRANSFER RADICAL POLYMERIZATION CARNEGIE MELLON UNIVERSITY (US) 1998-09-17 WO disclosed