SCHEMBL4272576

SCHEMBL4272576

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
NSD2 O96028 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 1/20 0.37
PLA2G4B P0C869 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 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
SCHEMBL4278418 0.84 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL4270867 0.83 MTNR1A (0.42) MTNR1AMTNR1BKDM4EALDH1A1TSHR
SCHEMBL4276565 0.81 MTNR1A (0.46) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL3168710 0.81 LMNA (0.59) PPARDPLA2G4BLMNAALOX15
SCHEMBL4272531 0.80 MTNR1A (0.44) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL23803803 0.77 DRD2 (0.51) KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL11266330 0.76 KMT2A (0.52) KDM4ESMN1; SMN2MAPK1KMT2APPARD
SCHEMBL4276837 0.74 FDFT1 (0.35) MTNR1AMTNR1BKDM4EALDH1A1TSHR
SCHEMBL4741970 0.74 KCNA3 (0.56) KDM4EALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL16493805 0.74 MRGPRX4 (0.40) PPARDMMP9

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