SCHEMBL7989142

SCHEMBL7989142

OC[C@@H](OCc1ccc(Br)cc1)[C@@H](O)[C@H](O)[C@@H](CO)OCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
APP P05067 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MAOB P27338 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
AGER Q15109 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL9439454 0.81 SLC1A3 (0.43) IDO1KDM4EKMT2AALDH1A1
SCHEMBL1883601 0.81 SLC1A3 (0.43) IDO1KDM4EKMT2AALDH1A1
SCHEMBL16599792 0.79 IDO1 (0.48) IDO1APPRXRARXRBMAOB
SCHEMBL7450464 0.77 MAOB (0.41) IDO1MAOB
SCHEMBL7987752 0.77 CA1 (0.47) KMT2A
SCHEMBL29752790 0.77 SLC1A3 (0.43) IDO1KDM4EKMT2AALDH1A1
SCHEMBL28088941 0.75 SLC1A3 (0.39) IDO1KMT2A
SCHEMBL7989863 0.71 IDO1 (0.36) IDO1MAOBKMT2AALDH1A1HPGD
SCHEMBL7792930 0.70 IDO1 (0.44) IDO1RXRARXRBMAOBKDM4E
SCHEMBL19930587 0.70 KMT2A (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329526-B1 Cycloalkyl substituted imidazoles SMITHKLINE BEECHAM CORPORATION 2001-12-11 US claimed
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed