SCHEMBL7654496

SCHEMBL7654496

O=C(O)CCC(C(=O)O)N(Cc1cccc(C(F)(F)F)c1)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPOR P19235 1/20 0.46
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
EPHX1 P07099 2/20 0.42
CETP P11597 2/20 0.41
PTGER1 P34995 1/20 0.41
PTGFR P43088 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PTGES O14684 1/20 0.40
SLC1A5 Q15758 1/20 0.40
MAPT P10636 1/20 0.39
ACP3 P15309 1/20 0.39

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
SCHEMBL3380508 0.83 CPA3 (0.46) EPORFFAR1
SCHEMBL7647484 0.74 KMT2A (0.38) FFAR1MEN1KMT2APTGFR
SCHEMBL3380552 0.72 HDAC1 (0.49) FFAR1MAPT
SCHEMBL365336 0.70 FFAR1 (0.70) FFAR1FFAR4MEN1KMT2AEPHX1
Hydrochloric Acid SCHEMBL30765594 0.69 FFAR1 (0.68) FFAR1FFAR4MEN1KMT2AEPHX1
SCHEMBL14026865 0.68 FFAR4 (0.56) FFAR1FFAR4MEN1KMT2AEPHX1
SCHEMBL1981615 0.68 FFAR4 (0.59) FFAR1FFAR4MEN1KMT2AEPHX1
SCHEMBL4445391 0.68 TAAR1 (0.56) FFAR1FFAR4MEN1KMT2AEPHX1
SCHEMBL31273982 0.67 HTR2A (0.60) FFAR1MEN1KMT2AEPHX1PPARG
SCHEMBL3470487 0.67 HTR2A (0.60) FFAR1MEN1KMT2AEPHX1PPARG

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
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed