SCHEMBL1744971

SCHEMBL1744971

Cc1ccc2ccccc2c1OP(=O)(Cl)NOC(=O)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
CXCR2 P25025 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL722494 0.75 EGLN1 (0.39) CASP1CASP3CASP7CASP6CASP8
SCHEMBL10208276 0.72 CXCR2 (0.34) CASP1CASP3CASP7CASP6CASP8
SCHEMBL723182 0.72 TSHR (0.46) CASP1CASP7RAB9AKDM4ETAS1R3
SCHEMBL1744458 0.72 BTN3A1 (0.41) GAAKDM4EKMT2A
SCHEMBL28442765 0.69 ACP3 (0.46) TAS1R3TAS1R1TAS1R2MAPTTDP1
SCHEMBL2749709 0.65 HSD17B10 (0.46) GAAHTTTAS1R3TAS1R1TAS1R2
SCHEMBL31506302 0.65 TSHR (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL722791 0.64 CYP1A2 (0.43) TAS1R3TAS1R1TAS1R2KMT2AMAPT
SCHEMBL8210145 0.64 KMT2A (0.47) SMN1; SMN2RAB9AKDM4EKMT2AMAPT
SCHEMBL11867995 0.64 TSHR (0.46) SMN1; SMN2GAAKDM4EHTTTAS1R3

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-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO disclosed