SCHEMBL4278418

SCHEMBL4278418

CC(=O)OOc1cccc(CCCOS(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACHE P22303 2/20 0.39
CYP2D6 P10635 2/20 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
SCHEMBL4270867 0.96 MTNR1A (0.42) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4278421 0.87 CYP3A4 (0.45) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4272576 0.84 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL4270869 0.83 CYP3A4 (0.44) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL5709046 0.81 CHRM2 (0.54) MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL3193515 0.81 KDM4E (0.41) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4268400 0.81 CYP4F2 (0.50) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4282042 0.80 MTNR1A (0.48) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4268391 0.80 CYP4F2 (0.54) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL3169528 0.80 PPARA (0.64) PPARAPPARG

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed