SCHEMBL9232196

SCHEMBL9232196

NC1(C(=O)O)CCC(NC(=O)N2CCC(OCC3CCNCC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
KDM1A O60341 3/20 0.32
MAOA P21397 3/20 0.32
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
F2R P25116 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL9232195 1.00 POLB (0.35) POLBTPSAB1TPSD1TPSG1HTT
Hydrochloric Acid SCHEMBL9232673 0.89 POLB (0.38) POLBTPSAB1TPSD1TPSG1HTT
SCHEMBL9232725 0.83 POLB (0.35) POLBTPSAB1TPSD1TPSG1HTT
SCHEMBL9232731 0.83 POLB (0.35) POLBTPSAB1TPSD1TPSG1HTT
Bicarbonate SCHEMBL9235058 0.83 HTT (0.49) POLBTPSAB1TPSD1TPSG1HTT
SCHEMBL9235050 0.82 POLB (0.38) POLBTPSAB1TPSD1TPSG1HTT
Bicarbonate SCHEMBL9239312 0.78 HTT (0.49) POLBHTTEPHX2PKMTSHR
SCHEMBL9237480 0.78 ITGB3 (0.41) POLBITGB3ITGA2BTLR9TLR8
SCHEMBL9237479 0.78 ITGB3 (0.41) POLBITGB3ITGA2BTLR9TLR8
Hydrochloric Acid SCHEMBL9235766 0.78 POLB (0.36) POLBTPSAB1TPSD1TPSG1EPHX2

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