SCHEMBL9057580

SCHEMBL9057580

C[C@H](CC=O)CC(=O)O.O=C1NCCC[C@H]1CCC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.48
ITGA2B P08514 14/20 0.48
F2R P25116 2/20 0.34
CCR2 P41597 1/20 0.32
ITGA2 P17301 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL9056746 0.74 ITGB3 (0.42) ITGB3ITGA2BF2RCCR2
SCHEMBL13039757 0.69 ITGB3 (0.71) ITGB3ITGA2BF2RTPSAB1TPSD1
SCHEMBL29015390 0.67 FOLH1 (0.51) CCR2
SCHEMBL29015392 0.67 FOLH1 (0.51) CCR2
SCHEMBL3649385 0.67 TSHR (0.45) ITGB3ITGA2BCCR2
SCHEMBL7277043 0.67 TSHR (0.45) ITGB3ITGA2BCCR2
SCHEMBL1648380 0.66
SCHEMBL30140781 0.65 L3MBTL1 (0.35)
SCHEMBL29015376 0.64 AGER (0.37) CCR2
SCHEMBL7351109 0.63 L3MBTL1 (0.40) CCR2

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-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO disclosed