SCHEMBL13702575

SCHEMBL13702575

C=CCCC(=O)N[C@H](CC(=O)O)Cc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.44
MMEL1 Q495T6 3/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 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
SCHEMBL13702576 1.00 MME (0.44) MMEMMEL1ITGB3ITGA2BOPRM1
SCHEMBL13702516 0.83 ITGB3 (0.54) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702535 0.81 MME (0.53) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702551 0.80 MME (0.55) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702520 0.80 MME (0.69) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702550 0.80 MME (0.55) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702545 0.80 MME (0.52) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702540 0.80 MME (0.69) MMEMMEL1
SCHEMBL13702519 0.80 MME (0.69) MMEMMEL1ITGB3ITGA2B
SCHEMBL13702544 0.80 MME (0.52) MMEMMEL1ITGB3ITGA2B

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
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed
US-20090239211-A1 Method For Enrichment Involving Elimination By Mismatch Hybridisation NUEVOLUTION A/S (DK) 2009-09-24 US disclosed