SCHEMBL6409133

SCHEMBL6409133

CCOC(=Cc1ccc(OCCBr)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
NR1H4 Q96RI1 1/20 0.46
ALOX5 P09917 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.39
PLA2G4A P47712 1/20 0.38

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
SCHEMBL6409131 1.00 PPARG (0.48) PPARGNR1H4ALOX5MEN1KMT2A
SCHEMBL6557707 0.89 NR1H4 (0.49) PPARGNR1H4MEN1KMT2AS1PR4
SCHEMBL6557711 0.89 NR1H4 (0.49) PPARGNR1H4MEN1KMT2AS1PR4
SCHEMBL5726523 0.86 NR1H4 (0.46) NR1H4ALOX5MEN1KMT2AS1PR4
SCHEMBL5726521 0.86 NR1H4 (0.46) NR1H4ALOX5MEN1KMT2AS1PR4
SCHEMBL5607238 0.86 MAPT (0.41) PPARGKMT2AMAPTS1PR1L3MBTL1
SCHEMBL5607242 0.86 MAPT (0.41) PPARGKMT2AMAPTS1PR1L3MBTL1
SCHEMBL13916943 0.81 AKR1C3 (0.49) NR1H4MEN1KMT2AMAPTL3MBTL1
SCHEMBL6056037 0.81 AKR1C3 (0.49) NR1H4MEN1KMT2AMAPTL3MBTL1
SCHEMBL6056036 0.81 AKR1C3 (0.49) NR1H4MEN1KMT2AMAPTL3MBTL1

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
US-6939988-B1 Tricyclic compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-09-06 US claimed