SCHEMBL7310309

SCHEMBL7310309

CC1C(N2CCN(CC(=O)O)CC2)OC(=O)N1C1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CCR5 P51681 2/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7305450 0.89 CCR5 (0.35) CCR5SMN1; SMN2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL7303493 0.88 SMN1; SMN2 (0.38) CCR5SMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL7307905 0.88 FKBP1A (0.32) CCR5RECQLSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL7308696 0.87 ITGB3 (0.32) ITGB3ITGA2BCCR5ALOX15ALDH1A1
SCHEMBL7313931 0.87 ITGB3 (0.31) ITGB3ITGA2BALOX15HSD17B10
SCHEMBL7305616 0.84 SMN1; SMN2 (0.44) RECQLSMN1; SMN2ALDH1A1
SCHEMBL7311851 0.83 STS (0.38) RECQLALDH1A1L3MBTL1
SCHEMBL7311690 0.82 SMN1; SMN2 (0.41) CCR5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7311024 0.81 SMN1; SMN2 (0.35) CCR5SMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL7309061 0.80 HSD17B10 (0.35) RECQLSMN1; SMN2ALDH1A1HSD17B10LMNA

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed