SCHEMBL7206684

SCHEMBL7206684

NCCOCc1ccccc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.59
TAAR1 Q96RJ0 5/20 0.55
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
TRPM2 O94759 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
LTA4H P09960 1/20 0.33
PLA2G2A P14555 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
SCHEMBL1228231 0.83 IDO1 (0.67) IDO1TAAR1CYP1A2TSHRCYP2D6
SCHEMBL18572473 0.82 IDO1 (0.55) IDO1TAAR1HPGDCYP1A2ALDH1A1
SCHEMBL18573061 0.80 IDO1 (0.53) IDO1TAAR1KDM4ECYP1A2MEN1
SCHEMBL19675835 0.78 TAAR1 (0.39) IDO1TAAR1KDM4EHPGDSMN1; SMN2
SCHEMBL6928728 0.76 TAAR1 (0.55) IDO1TAAR1KDM4EHPGDSMN1; SMN2
SCHEMBL3156528 0.75 IDO1 (0.57) IDO1TAAR1CYP1A2TSHRCYP2D6
SCHEMBL19535134 0.75 IDO1 (0.57) IDO1TAAR1KDM4ECYP1A2TSHR
SCHEMBL16343927 0.74 IDO1 (0.61) IDO1TAAR1CYP1A2CYP2D6CYP2C9
SCHEMBL1520784 0.74 IDO1 (1.00) IDO1TAAR1CYP3A4
SCHEMBL30968311 0.73 TSHR (0.62) IDO1TAAR1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027361-B1 6,11-BRIDGED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-05-07 EP claimed
EP-1027361-A1 6,11-BRIDGED ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2000-08-16 EP claimed
US-6046171-A 6,11-bridged erythromycin derivatives ABBOTT LABORATORIES (US) 2000-04-04 US claimed
WO-1999021864-A1 6,11-BRIDGED ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 WO claimed
EP-1027361-B1 6,11-BRIDGED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-05-07 EP disclosed
EP-1027361-A1 6,11-BRIDGED ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2000-08-16 EP disclosed
US-6046171-A 6,11-bridged erythromycin derivatives ABBOTT LABORATORIES (US) 2000-04-04 US disclosed
WO-1999021864-A1 6,11-BRIDGED ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 WO disclosed