SCHEMBL6531947

SCHEMBL6531947

CC(=O)OCC(CCc1cccc(O)c1)C(CC(N)=O)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TYR P14679 1/20 0.36
SPR P35270 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 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
SCHEMBL6528900 0.89 MMP12 (0.39) POLBMAPK1F2F10MMP12
SCHEMBL6527335 0.88 TAAR1 (0.36) TAAR1POLBMAPK1F2F10
SCHEMBL6528500 0.80 CTSA (0.39) F2F10MMP12AKR1B1
SCHEMBL6529689 0.80 LMNA (0.37) MMP12
SCHEMBL6502426 0.80 FFAR1 (0.42) F10
SCHEMBL6529916 0.80 CYP2D6 (0.39) MAPK1
SCHEMBL6527017 0.80 MMP12 (0.40) ALDH1A1MMP12
SCHEMBL6531215 0.79 ESR1 (0.37) MMP12AKR1B10AKR1B1
SCHEMBL6530992 0.78 LMNA (0.40) MMP12
SCHEMBL6501062 0.77 TYR (0.45) DRD2DRD1TAAR1TYRSPR

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed