SCHEMBL2767076

SCHEMBL2767076

CC(C)(C(=O)c1ccccc1)C1(O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HPGD P15428 1/20 0.37
CTSK P43235 1/20 0.37
HDAC4 P56524 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28927679 0.82 CYP2C19 (0.52) CES1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL10017684 0.77 CES1 (0.45) CES1TSHRSRCLMNAKMT2A
SCHEMBL14797346 0.74 SRC (0.38) CES1SRCHSD11B1KDM4EAKR1C1
SCHEMBL26612277 0.74 CES1 (0.39) CES1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL10439065 0.73 ALDH1A1 (0.33) TSHRCYP2C9CYP2C19LMNAALDH1A1
SCHEMBL21496090 0.71 SLC6A2 (0.40) CES1CYP2C9CYP2C19SRCHSD11B1
SCHEMBL15114675 0.71 ALDH1A1 (0.35) TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL9545592 0.71 CYP2C9 (0.42) CYP3A4CYP2C9CYP2C19HSD11B1KDM4E
Methyl Alcohol SCHEMBL28651962 0.69 KDM4E (0.44) CES1TSHRCYP3A4HSD11B1KDM4E
SCHEMBL28095639 0.69 KDM4E (0.44) CES1TSHRCYP3A4HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1544857-B1 Coating composition, hard coat film and optical disk LINTEC CORP (JP) 2010-04-14 EP disclosed
CN-100403062-C Paint composition, hard coating and CD LINTEC CORP (JP) 2008-07-16 CN disclosed
US-7384676-B2 Coating composition, hard coat film, and optical disk LINTEC CORPORATION (JP) 2008-06-10 US disclosed
CN-1289613-C Curable liquid resin composition DSM IP PROPERTY (NL) 2006-12-13 CN disclosed
US-20050147809-A1 Coating composition, hard coat film, and optical disk LINTEC CORPORATION (JP) 2005-07-07 US disclosed
EP-1544857-A1 Coating composition, hard coat film and optical disk LINTEC Corporation (JP) 2005-06-22 EP disclosed
CN-1611968-A Paint composition, hard coating and CD LINTEC CORP (JP) 2005-05-04 CN disclosed
CN-1561374-A Curable liquid resin composition DSM IP PROPERTY (NL) 2005-01-05 CN disclosed
CN-1156525-C Resin composition and cured product DSM 2004-07-07 CN disclosed
CN-1347432-A Resin composition and cured product DSM NV (NL) 2002-05-01 CN disclosed