SCHEMBL2317282

SCHEMBL2317282

Cc1ccccc1CC(=O)N[C@H](CC(=O)O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MME P08473 6/20 0.53
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.45
MMEL1 Q495T6 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
FFAR2 O15552 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
SCHEMBL2317287 1.00 MEN1 (0.56) MEN1KMT2AMMEMAPTALDH1A1
SCHEMBL2316489 0.87 MME (0.51) MEN1KMT2AMMELMNAMMEL1
SCHEMBL2316483 0.87 MME (0.51) MEN1KMT2AMMELMNAMMEL1
SCHEMBL2315692 0.87 KMT2A (0.53) MEN1KMT2AMMEMAPTCYP3A4
SCHEMBL2315703 0.87 KMT2A (0.53) MEN1KMT2AMMEMAPTCYP3A4
SCHEMBL2316457 0.86 LMNA (0.55) MEN1KMT2AMMEMAPTALDH1A1
SCHEMBL2316474 0.86 LMNA (0.55) MEN1KMT2AMMEMAPTALDH1A1
SCHEMBL2315472 0.86 MEN1 (0.70) MEN1KMT2AMMEMAPTALDH1A1
SCHEMBL2315478 0.86 MEN1 (0.70) MEN1KMT2AMMEMAPTALDH1A1
SCHEMBL2312765 0.85 MME (0.53) MEN1KMT2AMMEMAPTLMNA

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO disclosed