SCHEMBL8198680

SCHEMBL8198680

CCOC(=O)c1[nH]cc(C(C)=O)c1C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.53
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
CLEC4M Q9H2X3 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
SCHEMBL1752519 0.89 GRM1 (0.59) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL10090785 0.86 GRM1 (0.53) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL11201376 0.82 NPSR1 (0.43) GRM1
SCHEMBL4107701 0.80 CYP1A2 (0.52) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL12529489 0.79 GRM1 (0.53) GRM1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11649335 0.79 CYP1A2 (0.50) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL10046850 0.79 RAB9A (0.48) GRM1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL10090840 0.79 GRM1 (0.47) GRM1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL3138229 0.78 GRM1 (0.49) GRM1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL21060985 0.77 LMNA (0.58) GRM1ALDH1A1CYP1A2CYP2C9CYP2C19

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
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 US disclosed