SCHEMBL9098652

SCHEMBL9098652

Cc1nc2ccccc2o1.O=C(O)Oc1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
ELANE P08246 1/20 0.44
XDH P47989 3/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLO1 Q04760 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8650517 0.91 RAB9A (0.45) GAAMAPTXDHRAB9ANPC1
SCHEMBL5469722 0.80 ALDH1A1 (0.49) GAAMAPTXDHRAB9ANPC1
SCHEMBL129661 0.79 MAPT (0.59) GAAL3MBTL1MAPTELANERAB9A
SCHEMBL17312298 0.79 MAPT (0.59) GAAL3MBTL1MAPTELANERAB9A
SCHEMBL11027995 0.78 XDH (0.55) GAAL3MBTL1MAPTELANEXDH
SCHEMBL21629495 0.78 RAB9A (0.47) GAAMAPTXDHRAB9ANPC1
SCHEMBL9098647 0.77 XDH (0.50) GAAL3MBTL1MAPTELANEXDH
Trifluoroacetic Acid SCHEMBL31197673 0.77 SMN1; SMN2 (0.52) GAAL3MBTL1MAPTELANERAB9A
Hydrochloric Acid SCHEMBL5983442 0.77 MAPT (0.57) GAAL3MBTL1MAPTELANERAB9A
Iodide SCHEMBL7109823 0.77 MAPT (0.57) GAAL3MBTL1MAPTELANERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed