SCHEMBL27576342

SCHEMBL27576342

C=C(Oc1cccc(-c2ccc(OCCN3CCOc4ccccc43)cc2)c1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37

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
SCHEMBL27576348 0.90 HRH3 (0.41) TSHRFFAR4FFAR1EPHX1
SCHEMBL5113740 0.84 TSHR (0.44) TSHRLMNAMAPTRXFP1FFAR4
SCHEMBL5104269 0.81 PPARG (0.45) TSHRLMNAMAPTRXFP1FFAR4
SCHEMBL5100773 0.75 PPARG (0.41) TSHRLMNAMAPTRXFP1FFAR4
SCHEMBL5101275 0.73 LMNA (0.41) TSHRLMNAMAPTRXFP1FFAR1
SCHEMBL14265709 0.72 MAPT (0.43) TSHRLMNAMAPTRXFP1KMT2A
SCHEMBL5113340 0.71 PPARG (0.49) TSHRLMNAMAPTRXFP1CYSLTR2
SCHEMBL5113265 0.71 TSHR (0.42) TSHRLMNAMAPTRXFP1ESR1
SCHEMBL5107694 0.71 KMT2A (0.42) TSHRLMNAMAPTRXFP1CYSLTR2
SCHEMBL5113624 0.71 KMT2A (0.42) TSHRLMNAMAPTRXFP1CYSLTR2

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-1353699-A Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents REDDY RESEARCH FOUNDATION (IN) 2002-06-12 CN claimed
CN-1353699-A Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents REDDY RESEARCH FOUNDATION (IN) 2002-06-12 CN disclosed