SCHEMBL10646502

SCHEMBL10646502

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nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
FAAH O00519 2/20 0.48
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
CYP1A2 P05177 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8717357 0.93 FAAH (0.53) GAAMGAMSIMGAM2FAAH
SCHEMBL240898 0.91 GAA (0.75) GAAMGAMSIMGAM2FAAH
Malonic Acid Diethyl Ester SCHEMBL28059368 0.91 GAA (0.75) GAAMGAMSIMGAM2FAAH
SCHEMBL155563 0.88 GAA (0.78) GAAMGAMSIMGAM2FAAH
SCHEMBL28650988 0.85 GAA (0.74) GAAMGAMSIMGAM2FAAH
SCHEMBL1697722 0.84 GAA (0.58) GAAMGAMSIMGAM2FAAH
SCHEMBL6669031 0.84 FAAH (0.50) GAAMGAMSIMGAM2FAAH
SCHEMBL240282 0.83 MGAM (0.60) GAAMGAMSIMGAM2FAAH
SCHEMBL6831476 0.82 FAAH (0.48) GAAMGAMSIMGAM2FAAH
SCHEMBL20299505 0.82 FAAH (0.48) GAAMGAMSIMGAM2FAAH

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
EP-0275092-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1988-07-20 EP disclosed