SCHEMBL7449602

SCHEMBL7449602

CC(C)(C)[Si](C)(C)OC[C@@H](CCc1ccccc1)c1nc(C(=O)O)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CES1 P23141 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PRSS1 P07477 2/20 0.33
CTSG P08311 2/20 0.33
CTRB1 P17538 2/20 0.33
CMA1 P23946 2/20 0.33
ADA P00813 2/20 0.32
ECE1 P42892 1/20 0.32
TSHR P16473 1/20 0.32
NPR3 P17342 1/20 0.31
MMP2 P08253 1/20 0.31
BMP1 P13497 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 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
SCHEMBL7451270 0.73 ADA (0.38) ADRB2ADRB1DAGLAPPARGPPARA
SCHEMBL7846514 0.72 TP53 (0.41) TSHRPOLB
SCHEMBL6171832 0.71 DHFR (0.41) ADRB2ADRB1ADRB3MMP2
SCHEMBL6171825 0.71 DHFR (0.41) ADRB2ADRB1ADRB3MMP2
SCHEMBL6171958 0.70 ADA (0.56) ADA
SCHEMBL6171955 0.70 ADA (0.56) ADA
SCHEMBL7452055 0.69 MMP12 (0.34) ADRB2ADRB1ADRB3PPARGPPARA
SCHEMBL7449607 0.69 MAPT (0.31) POLB
SCHEMBL14453298 0.68 SIGMAR1 (0.34) PPARGPPARAPRSS1CTSGCTRB1
SCHEMBL7839013 0.67 ADA (0.32) ADRB2ADRB1ADRB3PPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed