SCHEMBL7501111

SCHEMBL7501111

CC(C)(C)OC(=O)NC(CO)[C@H]1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
SCN9A Q15858 1/20 0.45
ATM Q13315 1/20 0.44
KMT2A Q03164 2/20 0.44
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
HPGD P15428 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7501113 1.00 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL27398774 1.00 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL9142205 0.92 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7505168 0.90 SCN9A (0.44) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7505172 0.90 SCN9A (0.44) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL4024927 0.87 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL4024929 0.87 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7501037 0.85 SMN1; SMN2 (0.42) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7501028 0.85 SMN1; SMN2 (0.42) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL9052088 0.84 KMT2A (0.40) ALDH1A1TSHRMAPK1SCN9AATM

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-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN 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
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed