SCHEMBL6570931

SCHEMBL6570931

CC(=CC(C)OC(C)Oc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
AKR1C3 P42330 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALPL P05186 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APEX1 P27695 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 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
SCHEMBL15257 0.87 MTNR1A (0.46) MTNR1AMTNR1BTDP1TSHRAKR1C3
SCHEMBL4739378 0.79 MTNR1A (0.45) MTNR1AMTNR1BAKR1C3HPGDGAA
SCHEMBL11296673 0.76 CYP3A4 (0.53) AKR1C3KDM4ECYP1A2ALDH1A1LMNA
SCHEMBL3266857 0.76 MTNR1A (0.43) MTNR1AMTNR1BTDP1TSHRAKR1C3
SCHEMBL475010 0.76 APEX1 (0.33) APEX1
SCHEMBL11294654 0.76 KMT2A (0.41) MTNR1AMTNR1BTSHRAKR1C3GAA
Ethylene SCHEMBL2241631 0.74 AKR1C3 (0.42) MTNR1AMTNR1BTDP1AKR1C3KDM4E
SCHEMBL8014349 0.74 KDM4E (0.42) MTNR1AMTNR1BTSHRHPGDKDM4E
Acrylic Acid SCHEMBL7078870 0.73 MTNR1A (0.42) MTNR1AMTNR1BTDP1TSHRHPGD
Bicarbonate SCHEMBL3270191 0.73 GAA (0.52) MTNR1AMTNR1BTDP1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026001-B1 Thermal transfer recording medium SONY CORP (JP) 2004-04-14 EP claimed
EP-1026001-B1 Thermal transfer recording medium SONY CORP (JP) 2004-04-14 EP disclosed