SCHEMBL4276569

SCHEMBL4276569

CC(=O)Oc1cccc(OCCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CYP3A4 P08684 1/20 0.54
ACHE P22303 2/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NSD2 O96028 1/20 0.47
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5737221 0.87 PLA2G4B (0.56) LMNACYP3A4ACHEMAPK1L3MBTL1
SCHEMBL1196100 0.85 PLA2G4B (0.58) LMNACYP3A4KMT2ATSHR
SCHEMBL4272535 0.85 LMNA (0.53) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL9692573 0.85 KMT2A (0.61) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL4276565 0.84 MTNR1A (0.46) LMNAMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL715593 0.84 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL4576561 0.83 LMNA (0.54) LMNACYP3A4ACHEMTNR1AMTNR1B
Ammonia Solution, Strong SCHEMBL9172111 0.83 PLA2G4B (0.59) LMNACYP3A4MTNR1AKMT2ATSHR
SCHEMBL249305 0.82 LMNA (0.76) LMNACYP3A4ACHEKDM4EALDH1A1
SCHEMBL17028900 0.82 LMNA (0.76) LMNACYP3A4ACHEKDM4EALDH1A1

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