SCHEMBL7500672

SCHEMBL7500672

O=C(NC1CNCC1O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
NAAA Q02083 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2C P28335 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL19083298 1.00 CPB1 (0.53) CPB1ALDH1A1GAANAAATSHR
SCHEMBL12225513 1.00 CPB1 (0.53) CPB1ALDH1A1GAANAAATSHR
Hydrochloric Acid SCHEMBL31350678 0.99 CPB1 (0.52) CPB1ALDH1A1GAANAAATSHR
Trifluoroacetic Acid SCHEMBL28830302 0.93 CPB1 (0.47) CPB1ALDH1A1GAANAAATSHR
Trifluoroacetic Acid SCHEMBL28830303 0.93 CPB1 (0.47) CPB1ALDH1A1GAANAAATSHR
SCHEMBL16683509 0.88 ALDH1A1 (0.52) CPB1ALDH1A1GAANAAATSHR
SCHEMBL5745326 0.88 ALDH1A1 (0.52) CPB1ALDH1A1GAANAAATSHR
SCHEMBL28839571 0.88 ALDH1A1 (0.52) CPB1ALDH1A1GAANAAATSHR
SCHEMBL18969529 0.88 ALDH1A1 (0.52) CPB1ALDH1A1GAANAAATSHR
Hydrochloric Acid SCHEMBL6582419 0.87 ALDH1A1 (0.51) CPB1ALDH1A1GAANAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed