SCHEMBL8564550

SCHEMBL8564550

OCCCc1nc(-c2ccccc2)no1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.72
ALDH1A1 P00352 3/20 0.70
NOTUM Q6P988 1/20 0.70
L3MBTL1 Q9Y468 5/20 0.66
RAB9A P51151 5/20 0.66
NPC1 O15118 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
TDP1 Q9NUW8 3/20 0.58
ATM Q13315 1/20 0.58
HTR1A P08908 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL562989 0.83 ALDH1A1 (1.00) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL11627068 0.83 ALDH1A1 (0.74) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL17595755 0.82 NOTUM (1.00) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL20029259 0.80 SIRT2 (0.91) SIRT2ALDH1A1NOTUML3MBTL1RAB9A
Dimethylamine SCHEMBL7961651 0.80 ALDH1A1 (0.61) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL7961634 0.80 HTR1A (0.65) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL14288613 0.79 RAB9A (0.70) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL14736563 0.79 RAB9A (0.70) ALDH1A1NOTUML3MBTL1RAB9ANPC1
SCHEMBL15504863 0.79 RAB9A (0.70) SIRT2ALDH1A1NOTUML3MBTL1RAB9A
SCHEMBL15633901 0.79 L3MBTL1 (0.73) SIRT2ALDH1A1NOTUML3MBTL1RAB9A

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
CN-1059445-C Novel derivatives of erythromycin, their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-12-13 CN disclosed
US-5760233-A CHEMICAL INTERMEDIATES FOR MAKING ERYTHROMYCINS ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-06-02 US disclosed
US-5656607-A Erythromycin derivatives ROUSSEL UCLAF (FR) 1997-08-12 US disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 CN disclosed