SCHEMBL7305057

SCHEMBL7305057

CC(C=O)C(=O)N1CCSCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.40
DPP7 Q9UHL4 8/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
HPGD P15428 2/20 0.37
LIPE Q05469 1/20 0.36
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7304374 0.81 HPGD (0.40) DPP4DPP7HPGDALDH1A1
SCHEMBL7346646 0.79 ALDH1A1 (0.41) DPP4DPP7HPGDALDH1A1
SCHEMBL1911508 0.79 DPP4 (0.44) DPP4DPP7DPP8DPP9HPGD
SCHEMBL7299020 0.78 CYP1A2 (0.46) HPGDALDH1A1HSD17B10
SCHEMBL6945616 0.77 DPP4 (0.43) DPP4DPP7DPP8DPP9HPGD
SCHEMBL7299462 0.76 SMN1; SMN2 (0.47) HPGDALDH1A1HSD17B10
SCHEMBL7303416 0.76 CA2 (0.42) HPGDALDH1A1
SCHEMBL9019591 0.75 DPP4 (0.42) DPP4DPP7DPP8DPP9HPGD
SCHEMBL18722240 0.75 DPP4 (0.50) DPP4DPP7DPP8DPP9HPGD
SCHEMBL16435175 0.72 DPP4 (0.51) DPP4DPP7DPP8DPP9

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
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed