SCHEMBL27367268

SCHEMBL27367268

CCOCC(OCC)(OCC)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
PTK2B Q14289 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6027272 0.94 TSHR (0.49) TSHRKDM4EPOLBALDH1A1LMNA
SCHEMBL27504444 0.86 TSHR (0.46) TSHRKDM4EALDH1A1LMNATDP1
SCHEMBL17798226 0.85 TSHR (0.50) TSHRKDM4EPOLBALDH1A1LMNA
SCHEMBL22833246 0.84 CYP2D6 (0.46) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL3667880 0.82 TSHR (0.53) TSHRKDM4EPOLBALDH1A1LMNA
SCHEMBL206694 0.81 TSHR (0.49) TSHRKDM4EALDH1A1LMNATDP1
SCHEMBL5962149 0.79 TSHR (0.49) TSHRKDM4EPOLBALDH1A1ALOX15
SCHEMBL17797777 0.79 CA1 (0.41) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL17798309 0.78 ALDH1A1 (0.57) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL17798283 0.77 ALDH1A1 (0.41) TSHRKDM4EALDH1A1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1283474-C Multilayer film DUPONT TEIJIN FILMS US LTD (US) 2006-11-08 CN disclosed
CN-1535210-A Multilayer film 美国杜邦泰津胶片合伙人有限公司 2004-10-06 CN disclosed
CN-1064594-C Polymeric film AMERICAN DUPONT TEZY FILM L P (US) 2001-04-18 CN disclosed
CN-1041209-C Polymeric film IMPERIOD CHEMICAL IND PLC (GB) 1998-12-16 CN disclosed
CN-1139406-A Polymer film ICI PLC (GB) 1997-01-01 CN disclosed
CN-1082560-A Polymer thin film ICI PLC (GB) 1994-02-23 CN disclosed