SCHEMBL21557569

SCHEMBL21557569

COC(=O)C1COc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HCRTR2 O43614 1/20 0.37
ACHE P22303 1/20 0.37
MALT1 Q9UDY8 2/20 0.36
CA2 P00918 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 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
SCHEMBL30016781 1.00 FFAR1 (0.39) FFAR1PPARGPPARDSLC6A4SLC6A3
SCHEMBL15271104 0.88 HCRTR2 (0.44) FFAR1PPARGPPARDSLC6A4SLC6A3
SCHEMBL30041950 0.88 HCRTR2 (0.44) FFAR1PPARGPPARDSLC6A4SLC6A3
SCHEMBL15897694 0.86 KDM4C (0.43) SLC6A4SLC6A3KDM4CMAPTALDH1A1
SCHEMBL15211430 0.84 ESR1 (0.42) CA2MAPTALDH1A1
SCHEMBL31432485 0.82 MTNR1A (0.47) ACHEMAPTALDH1A1TP53
SCHEMBL2729054 0.82 GAA (0.36) FFAR1PPARGPPARDACHEALDH1A1
SCHEMBL1679129 0.82 MAP3K14 (0.44) FFAR1PPARGPPARDHCRTR2ALDH1A1
SCHEMBL31704184 0.81 FFAR1 (0.41) FFAR1PPARGPPARDHCRTR2CA2
SCHEMBL13576751 0.78 GLS (0.46) HCRTR2MAPTALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3566749-A1 THIAZOLE DERIVATIVE AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed