SCHEMBL8995598

SCHEMBL8995598

OCCCCOCc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
CHRM3 P20309 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MAOB P27338 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LSS P48449 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL5429081 0.98 IDO1 (0.44) IDO1CHRM3TDP1L3MBTL1APP
SCHEMBL9347610 0.88 IDO1 (0.52) IDO1CHRM3TDP1L3MBTL1APP
SCHEMBL4222448 0.86 IDO1 (0.50) IDO1CHRM3APPRXRARXRB
SCHEMBL25215440 0.84 IDO1 (0.48) IDO1CHRM3APPRXRARXRB
SCHEMBL11314244 0.83 LTA4H (0.41) IDO1CHRM3TDP1L3MBTL1PTPN2
SCHEMBL134086 0.83 IDO1 (0.61) IDO1CHRM3APPRXRARXRB
SCHEMBL20317448 0.81 MEN1 (0.45) TDP1L3MBTL1KMT2ACYP11B1CYP11B2
SCHEMBL21578433 0.81 IDO1 (0.58) IDO1CHRM3APPRXRARXRB
SCHEMBL9342149 0.81 IDO1 (0.58) IDO1CHRM3APPRXRARXRB
SCHEMBL9342899 0.81 IDO1 (0.58) IDO1CHRM3APPRXRARXRB

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
JP-8225733-A None JP disclosed
JP-H08225733-A GAMMA-RAY-RESISTANT POLYCARBONATE RESIN COMPOSITION TEIJIN LTD 1996-09-03 JP disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed