SCHEMBL5439593

SCHEMBL5439593

OP(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
AGER Q15109 1/20 0.42
APP P05067 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MAOB P27338 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL28066876 0.86 IDO1 (0.52) IDO1AGERAPPRXRARXRB
SCHEMBL29146124 0.81 IDO1 (0.52) IDO1APPKDM4EKMT2AALOX15
SCHEMBL3104659 0.77 AGXT (0.52) IDO1MAOBKDM4EKMT2AALOX15
SCHEMBL11654194 0.77 IDO1 (0.52) IDO1APPMAOBKMT2AMAPT
SCHEMBL51153 0.76 TSHR (0.52) IDO1KMT2AALDH1A1CA12CA1
SCHEMBL15021274 0.74 TSHR (0.50) IDO1KMT2AALDH1A1CA12CA1
SCHEMBL28006880 0.74 TSHR (0.50) IDO1KMT2AALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL27474797 0.74 TSHR (0.50) IDO1MAOBKMT2AALDH1A1CA12
SCHEMBL5452410 0.74 IDO1 (0.55) IDO1APPMAOBCA12CA1
SCHEMBL4954444 0.74 IDO1 (0.44) IDO1APPRXRARXRBMAOB

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
US-20070219378-A1 Method for Producing Sodium Fosphenytoin CILAG AG (CH) 2007-09-20 US claimed
US-20070219378-A1 Method for Producing Sodium Fosphenytoin CILAG AG (CH) 2007-09-20 US disclosed
US-4120689-A POSTEMERGENT MONSANTO COMPANY (US) 1978-10-17 US disclosed