SCHEMBL2333422

SCHEMBL2333422

CCC(=O)NC(N)CCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ENPEP Q07075 3/20 0.44
PLA2G10 O15496 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
PLA2G2C Q5R387 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
SCHEMBL15543759 0.83 ENPEP (0.46) ALDH1A1ENPEPPLA2G10GABRPGABRD
SCHEMBL29242708 0.83 ENPEP (0.46) ALDH1A1ENPEPPLA2G10GABRPGABRD
SCHEMBL28226879 0.82 DPP7 (0.43) PLA2G2CCYP2C9MEN1KMT2A
SCHEMBL2225373 0.81 CYP2C9 (0.38) ALDH1A1PLA2G2CCYP2C9MEN1ALOX15
SCHEMBL9905597 0.81 PLA2G10 (0.44) ALDH1A1PLA2G10PLA2G2CAKR1B1CYP2C9
SCHEMBL2329130 0.81 PLA2G10 (0.46) ALDH1A1ENPEPPLA2G10GABRPGABRD
SCHEMBL15313039 0.80 PLA2G2C (0.60) ALDH1A1PLA2G10PLA2G2CFFAR4FFAR1
SCHEMBL2327522 0.80 ENPEP (0.40) ALDH1A1ENPEPPLA2G10GABRPGABRD
SCHEMBL2364124 0.80 ALDH1A1 (0.46) ALDH1A1ENPEPPLA2G10GABRPGABRD
SCHEMBL28869395 0.79 GPR84 (0.44) FFAR1GPR84MEN1KMT2A

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-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed