SCHEMBL4270867

SCHEMBL4270867

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL4278418 0.96 MTNR1A (0.43) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4270869 0.87 CYP3A4 (0.44) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4272576 0.83 MTNR1A (0.41) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL4278421 0.83 CYP3A4 (0.45) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4268391 0.81 CYP4F2 (0.54) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL1635492 0.80 PPARA (0.63) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL4279632 0.80 MTNR1A (0.47) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL3164703 0.80 PPARA (0.67) PPARAPPARGLMNA
SCHEMBL4268400 0.80 CYP4F2 (0.50) MTNR1AMTNR1BPPARAPPARGHDAC1
SCHEMBL3159555 0.79 PTGDR2 (0.49) MTNR1AMTNR1BPPARAPPARGHDAC1

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