SCHEMBL14065876

SCHEMBL14065876

O=C(O)CCCCN(Cc1ccc(C(=O)O)cc1)Cc1cccc(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
ALOX5 P09917 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK14 Q16539 2/20 0.44
LPAR1 Q92633 5/20 0.44
LPAR5 Q9H1C0 4/20 0.44
MEP1B Q16820 2/20 0.44
NR4A2 P43354 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SLC2A1 P11166 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL14066132 0.90 PTGES (0.51) PTGESALOX5LPAR1LPAR5MEP1B
SCHEMBL4650121 0.79 STAT3 (0.51) PTGESALOX5LPAR1LPAR5MEP1B
Hydrochloric Acid SCHEMBL4929857 0.79 STAT3 (0.50) PTGESALOX5LPAR1LPAR5MEP1B
SCHEMBL14270629 0.78 FFAR1 (0.55) PTGESALOX5LPAR1LPAR5NR4A2
SCHEMBL13009771 0.77 PTGER1 (0.48) ALOX5MEN1KMT2AMAPK14LPAR1
SCHEMBL14270650 0.75 FFAR4 (0.47) FFAR1FFAR4
SCHEMBL13009856 0.74 PTGER1 (0.49) ALOX5MRGPRX4FFAR1FFAR4PPARD
SCHEMBL4650017 0.74 PPARD (0.41) PTGESALOX5MEN1KMT2ALPAR1
SCHEMBL13378384 0.74 PPARD (0.46) NR4A2FFAR1FFAR4PPARGPPARD
SCHEMBL10811351 0.73 FFAR1 (0.53) FFAR1FFAR4PPARDPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368302-B1 NOVEL AMINO DICARBOXYLIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-09-10 EP disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed