SCHEMBL9237479

SCHEMBL9237479

CCCCS(=O)(=O)N[C@]1(C(=O)O)CC[C@H](NC(=O)N2CCC(OCC3CCNCC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.41
ITGA2B P08514 12/20 0.41
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
RBP4 P02753 1/20 0.32
POLB P06746 1/20 0.31
EPHX1 P07099 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL9237480 1.00 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9235576 0.91 ITGB3 (0.38) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL9232731 0.82 POLB (0.35) POLBTLR9TLR8TLR7
SCHEMBL9232725 0.82 POLB (0.35) POLBTLR9TLR8TLR7
SCHEMBL9236133 0.79 GPR119 (0.41) RBP4EPHX1
SCHEMBL9232195 0.78 POLB (0.35) ITGB3ITGA2BPOLBTLR9TLR8
SCHEMBL9232196 0.78 POLB (0.35) ITGB3ITGA2BPOLBTLR9TLR8
Hydrochloric Acid SCHEMBL9235766 0.75 POLB (0.36) POLBTLR9TLR8TLR7
Hydrochloric Acid SCHEMBL9235762 0.75 ITGB3 (0.38) ITGB3ITGA2BITGAVCHRM2SLC6A4
Bicarbonate SCHEMBL9235058 0.74 HTT (0.49) POLBEPHX1

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-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed