SCHEMBL6026975

SCHEMBL6026975

COc1ccc(CC(=O)C(C)(C)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
CTBP2 P56545 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
LDHA P00338 1/20 0.49
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
F2RL1 P55085 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13012117 0.87 HTT (0.59) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL17210682 0.81 CES1 (0.58) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL10697795 0.81 HTT (0.57) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL21652156 0.80 KMT2A (0.51) HTTSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL9791592 0.79 CA2 (0.54) CTBP2KDM4ENPC1LMNA
SCHEMBL21652116 0.78 ELANE (0.51) HTTPOLBTDP1KMT2AATM
SCHEMBL3628705 0.78 HTT (0.68) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL6182221 0.77 RXRA (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL7387748 0.76 HTT (0.56) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL9392395 0.76 SMN1; SMN2 (0.47) HTTSMN1; SMN2CTBP2POLBLDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074770-B1 Method of DNA vaccination SMITHKLINE BEECHAM CORPORATION (US) 2006-07-11 US claimed
CN-1326358-A Method of DNA vaccination GLAXO GROUP LTD (GB) 2001-12-12 CN claimed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP claimed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
US-7074770-B1 Method of DNA vaccination SMITHKLINE BEECHAM CORPORATION (US) 2006-07-11 US disclosed
CN-1326358-A Method of DNA vaccination GLAXO GROUP LTD (GB) 2001-12-12 CN disclosed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP disclosed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed
US-5508310-A ADMINISTERING SUBSTITUTED ALDEHYDES OR KETONES WHICH CAN REACT WITH T-CELL SURFACE GROUPS TO FORM SCHIFF BASES BURROUGHS WELLCOME CO. (US) 1996-04-16 US disclosed
EP-0614357-A1 IMMUNOPOTENTIATORY AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-09-14 EP disclosed
WO-1994007479-A2 IMMUNOPOTENTIATORY AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-04-14 WO disclosed