SCHEMBL2365012

SCHEMBL2365012

CC(=O)NC(CCC(=O)O)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
KCNN4 O15554 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR1 O14842 2/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
ELANE P08246 1/20 0.35
LTA4H P09960 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL2364637 0.85 KCNN4 (0.41) MMP2MMP13MTNR1AMTNR1BMAPT
SCHEMBL4738052 0.77 CNR2 (0.41) MTNR1AMTNR1BALDH1A1
SCHEMBL3745846 0.74 CYP1A2 (0.38) MAPTRECQLKCNN4CYP3A4ALOX15
SCHEMBL2364654 0.73 CYP2C19 (0.40) MAPTALDH1A1RECQLKCNN4CYP2C19
SCHEMBL8014154 0.69 L3MBTL1 (0.43) MMP2MMP13MTNR1AMTNR1BL3MBTL1
SCHEMBL8014150 0.69 MTNR1A (0.41) MMP2MMP13MTNR1AMTNR1BL3MBTL1
SCHEMBL10498188 0.66 MAPT (0.41) MMP2MMP13MTNR1AMTNR1BL3MBTL1
SCHEMBL2365011 0.66 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1ALOX15
SCHEMBL1682512 0.66 HIF1A (0.53) MAPTALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL75391 0.66 ALDH1A1 (0.72) MAPTALDH1A1KCNN4CYP2C19HIF1A

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 1 patent. 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 disclosed