SCHEMBL8501054

SCHEMBL8501054

CCOC(=O)C(=O)c1sccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
PKM P14618 3/20 0.51
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
NFKB1 P19838 1/20 0.49
STAT1 P42224 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GAA P10253 2/20 0.45
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL27756118 0.84 ALDH1A1 (0.44) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL10164979 0.83 PKM (0.44) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL10164986 0.83 PKM (0.47) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL7043180 0.83 ALDH1A1 (0.46) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL7043645 0.83 ALDH1A1 (0.43) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL7041650 0.83 PKM (0.46) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL4504630 0.81 SMN1; SMN2 (0.53) GSK3BPKMSMN1; SMN2NPC1RAB9A
SCHEMBL3053745 0.81 PKM (0.67) GSK3BPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL12172196 0.81 TSHR (0.49) PKMALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL5472014 0.80 GSK3B (0.61) GSK3BPKMSMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962489-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-05 US disclosed
US-5817682-A OXALOXIMES OF PYRAZOLES AND ISOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5736566-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed
US-5672616-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
US-5663185-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed