SCHEMBL4276565

SCHEMBL4276565

CC(=O)OOc1cccc(OCCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NSD2 O96028 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
PLA2G4B P0C869 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4272531 0.86 MTNR1A (0.44) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL4276569 0.84 LMNA (0.54) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL4272576 0.81 MTNR1A (0.41) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL715593 0.81 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL4268400 0.80 CYP4F2 (0.50) MTNR1AMTNR1B
SCHEMBL4268391 0.79 CYP4F2 (0.54) MTNR1AMTNR1B
SCHEMBL4568918 0.76 KMT2A (0.57) KDM4EALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL5825053 0.76 TSHR (0.60) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL2205073 0.76 TAAR1 (0.55) ALDH1A1TSHR
SCHEMBL29818959 0.76 TAAR1 (0.55) ALDH1A1TSHR

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