SCHEMBL4550642

SCHEMBL4550642

CCCCC(COc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
PPARG P37231 7/20 0.53
PPARA Q07869 3/20 0.53
PTGES O14684 6/20 0.53
MAPK1 P28482 2/20 0.50
CA2 P00918 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL3966237 0.95 ALOX5 (0.49) ALOX5PPARGPPARAPTGESTDP1
2-Ethylhexanoic Acid SCHEMBL3847865 0.86 LMNA (0.59) ALOX5PPARGPPARAPTGESMAPK1
SCHEMBL21896388 0.84 KDM4E (0.49) ALOX5PPARGPTGESKMT2A
SCHEMBL21896387 0.84 KDM4E (0.49) ALOX5PPARGPTGESKMT2A
SCHEMBL5514903 0.84 TBXA2R (0.47) PPARGPPARALMNAALDH1A1MTNR1A
SCHEMBL5819286 0.83 PLA2G4B (0.47) TDP1MTNR1AMTNR1B
SCHEMBL11052073 0.83 LMNA (0.53) PPARGPPARATDP1LMNAMTNR1A
SCHEMBL5508346 0.83 TBXA2R (0.49) PPARGPPARALMNAMEN1ALDH1A1
Ethane SCHEMBL5531789 0.82 LMNA (0.49) PPARGPPARATDP1LMNAALDH1A1
SCHEMBL5515375 0.81 TDP1 (0.59) ALOX5PPARGPPARAPTGESTDP1

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