SCHEMBL7776207

SCHEMBL7776207

COC(=CCOCC=C(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.44
TSHR P16473 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
KMT2A Q03164 3/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7849400 0.82 AKT1 (0.47) AKT1TSHRMTNR1AMTNR1BKMT2A
SCHEMBL5085213 0.82 TSHR (0.43) AKT1TSHRMTNR1AMTNR1BKMT2A
SCHEMBL10454330 0.79 MTNR1A (0.38) AKT1TSHRMTNR1AMTNR1BDRD2
SCHEMBL11158196 0.77 AKT1 (0.41) AKT1TSHRMTNR1AMTNR1BKMT2A
SCHEMBL2777335 0.76 TSHR (0.50) AKT1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL342989 0.76 TSHR (0.50) AKT1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL7123836 0.76 SIGMAR1 (0.51) MTNR1AMTNR1BDRD2HTR2AHTR2C
SCHEMBL8588497 0.76 TSHR (0.50) AKT1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL7492443 0.75 MTNR1A (0.43) AKT1MTNR1AMTNR1BDRD2HTR2A
SCHEMBL3299523 0.73 NAAA (0.45) AKT1TSHRCYP3A4CES1TBXAS1

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
CN-117327356-A Curable polymer composition 科腾聚合物荷兰有限责任公司 2024-01-02 CN disclosed
JP-2001316317-A CIRCULATION PROMOTER KAO CORP 2001-11-13 JP disclosed