SCHEMBL8577017

SCHEMBL8577017

CC(C)(C)OC(=O)NCC(=O)NCCc1ccccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
DRD2 P14416 1/20 0.46
NQO2 P16083 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PTGER1 P34995 2/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
MTNR1A P48039 2/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
SYK P43405 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
IDO1 P14902 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRB2 P07550 2/20 0.42
BCHE P06276 1/20 0.42
CNR2 P34972 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL8540588 0.92 NQO2 (0.53) HTR1ADRD2NQO2PTGER1PTGER4
SCHEMBL8985088 0.85 MTNR1A (0.54) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8573380 0.83 SIGMAR1 (0.54) TAAR1NPFFR1NPFFR2SIGMAR1IDO1
SCHEMBL8033873 0.81 BRD4 (0.59) NPFFR1NPFFR2SYKSIGMAR1CYP2C9
SCHEMBL30544325 0.79 SYK (0.57) NPFFR1NPFFR2SYKIDO1
SCHEMBL7866386 0.79 NQO2 (0.48) NQO2TAAR1IDO1
SCHEMBL24815312 0.78 SIGMAR1 (0.58) NPFFR1NPFFR2SIGMAR1IDO1CYP2C9
SCHEMBL28075068 0.78 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL22657971 0.78 SYK (0.56) NPFFR1NPFFR2SYKIDO1
SCHEMBL12322221 0.78 SGMS2 (0.53) SYKSIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5853713-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1998-12-29 US disclosed
US-5618528-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1997-04-08 US disclosed
EP-0748226-A1 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1996-12-18 EP disclosed
WO-1995022991-A2 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1995-08-31 WO disclosed