SCHEMBL27601741

SCHEMBL27601741

COc1cc(C(=O)O)c(OC)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
PKM P14618 2/20 0.51
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MYC P01106 1/20 0.49
TPMT P51580 1/20 0.46
IMPDH2 P12268 1/20 0.45
GPR35 Q9HC97 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL27711069 0.85 HSD17B10 (0.55) LCKFYNPKMKDM4EALDH1A1
SCHEMBL11336059 0.84 HTT (0.55) LCKFYNPKMKDM4EALDH1A1
SCHEMBL4903560 0.82 PKM (0.58) LCKFYNPKMKDM4EALDH1A1
SCHEMBL27780036 0.82 LCK (0.56) LCKFYNPKMKDM4EALDH1A1
SCHEMBL28270343 0.82 KDM4E (0.54) LCKFYNPKMKDM4EALDH1A1
SCHEMBL16656037 0.82 LCK (0.47) LCKFYNPKMKDM4EALDH1A1
SCHEMBL1438926 0.82 PKM (0.62) LCKFYNPKMKDM4EALDH1A1
SCHEMBL23044981 0.81 ALDH1A1 (0.51) LCKFYNPKMKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27859010 0.81 PKM (0.57) LCKFYNPKMKDM4EALDH1A1
SCHEMBL23496923 0.81 LCK (0.59) LCKFYNPKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1471516-A Process for the preparation of 1,5-disubstituted-3-amino-1,2,4-triazoles and substituted aminoguamidines as intermediate compounds ��ŵ�Ѻϳ�ʵ���� 2004-01-28 CN disclosed