SCHEMBL6076728

SCHEMBL6076728

CCCNC(=O)c1ccc(C(=O)NCCC)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.52
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NAAA Q02083 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5185604 0.93 POLB (0.49) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL6075731 0.89 HTT (0.64) L3MBTL1CYP1A2HTTTSHRHPGD
SCHEMBL6075636 0.88 HTT (0.57) L3MBTL1CYP1A2HTTTSHRHPGD
SCHEMBL822462 0.86 NAAA (0.59) L3MBTL1HTTTSHRHPGDALDH1A1
SCHEMBL17361219 0.86 NAAA (0.59) L3MBTL1HTTTSHRHPGDALDH1A1
SCHEMBL5056873 0.86 NAAA (0.59) L3MBTL1HTTTSHRHPGDALDH1A1
SCHEMBL54245 0.86 NAAA (0.59) L3MBTL1HTTTSHRHPGDALDH1A1
SCHEMBL823157 0.85 CYP1A2 (0.56) L3MBTL1CYP1A2HTTTSHRKMT2A
SCHEMBL4812105 0.84 HTT (0.57) L3MBTL1CYP1A2HTTTSHRHPGD
SCHEMBL30875593 0.84 HTT (0.57) L3MBTL1CYP1A2HTTTSHRHPGD

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
US-20040151996-A1 Photoconductive members XEROX CORPORATION 2004-08-05 US claimed
US-7037630-B2 Photoconductive members XEROX CORPORATION (US) 2006-05-02 US disclosed
US-20040151996-A1 Photoconductive members XEROX CORPORATION 2004-08-05 US disclosed