SCHEMBL9102402

SCHEMBL9102402

CN(CCCNC(=O)CCN(CCC(=O)NCCCN(C)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
GAA P10253 2/20 0.42
BCHE P06276 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
PPARG P37231 1/20 0.39
ACKR3 P25106 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL9103877 0.79 USP2 (0.45) USP2GAABCHEACKR3ALDH1A1
SCHEMBL9099535 0.78 USP2 (0.57) USP2GAABCHEALOX15TSHR
SCHEMBL9100817 0.76 HPGD (0.48) GAAHSD17B10HPGDMAPT
SCHEMBL9101010 0.74 USP2 (0.47) USP2GAABCHEL3MBTL1ALDH1A1
Iodide SCHEMBL10428917 0.71 SNCA (0.42) PPARGMAPT
SCHEMBL4861149 0.70 USP2 (0.57) USP2GAABCHEALOX15TSHR
SCHEMBL9101089 0.70 ALDH1A1 (0.43) USP2ALDH1A1LMNAMAPT
SCHEMBL9549340 0.70 DNM1 (0.62) USP2GAABCHEHPGD
Bromide SCHEMBL4595866 0.69 SNCA (0.47) GAABCHEL3MBTL1NPSR1ALDH1A1
SCHEMBL2012086 0.68 ACKR3 (0.54) USP2GAABCHEALOX15TSHR

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-0474431-B1 Amphiphilic compounds for sequential monolayer deposition ICI PLC (GB) 1996-03-06 EP disclosed
EP-0474431-A1 Amphiphilic compounds for sequential monolayer deposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed