SCHEMBL7501037

SCHEMBL7501037

CC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTRB1 P17538 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL7501028 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL7505168 0.88 SCN9A (0.44) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL7505172 0.88 SCN9A (0.44) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL7501113 0.85 ALDH1A1 (0.45) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL27398774 0.85 ALDH1A1 (0.45) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL7501111 0.85 ALDH1A1 (0.45) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL9142205 0.85 ALDH1A1 (0.45) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL4024927 0.81 ALDH1A1 (0.46) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL4024929 0.81 ALDH1A1 (0.46) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1
SCHEMBL9052088 0.78 KMT2A (0.40) SMN1; SMN2SCN9AALDH1A1TSHRMAPK1

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 6 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
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
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed