SCHEMBL5758153

SCHEMBL5758153

CC(C)Oc1ccc(Cl)cc1C(Br)C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
TSHR P16473 1/20 0.38
HTR2B P41595 1/20 0.38
CSNK2A1 P68400 2/20 0.36
RORC P51449 1/20 0.36
SLC9A1 P19634 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MDM2 Q00987 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
P2RX3 P56373 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL3637979 0.84 ALDH1A1 (0.40) TSHRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5756144 0.80 CSNK2A1 (0.41) HTR2AHTR2CTSHRHTR2BCSNK2A1
SCHEMBL11890403 0.78 CSNK2A1 (0.43) HTR2AHTR2CTSHRHTR2BCSNK2A1
SCHEMBL6445833 0.77 EPAS1 (0.34) HTR2AHTR2CFFAR4MAP2
SCHEMBL6446720 0.75 CYP3A4 (0.39) HTR2AHTR2CTSHRHTR2BCYP3A4
SCHEMBL16953753 0.75 CSNK2A1 (0.41) HTR2AHTR2CTSHRHTR2BCSNK2A1
SCHEMBL2311541 0.74 TDP1 (0.41) TSHRCYP3A4MAPTSMN1; SMN2
SCHEMBL16959273 0.74 CSNK2A1 (0.38) HTR2AHTR2CTSHRHTR2BCSNK2A1
SCHEMBL30933788 0.73 ERN1 (0.47) HTR2AHTR2CTSHRHTR2BCSNK2A1
SCHEMBL4209586 0.73 ERN1 (0.47) HTR2AHTR2CTSHRHTR2BCSNK2A1

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-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed