SCHEMBL8717259

SCHEMBL8717259

O=C(O)C1CC1Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.53
GRM3 Q14832 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 1/20 0.51
CTNNB1 P35222 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ACP3 P15309 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7807705 0.80 CYP2D6 (0.48) GRM2GRM3TDP1CYP2D6CTNNB1
Hydrochloric Acid SCHEMBL28760964 0.77 CYP2D6 (0.50) GRM2GRM3TDP1CYP2D6CTNNB1
SCHEMBL2507906 0.77 CYP2D6 (0.54) GRM2GRM3TDP1CYP2D6CTNNB1
Hydrochloric Acid SCHEMBL14053682 0.76 CYP2D6 (0.52) GRM2GRM3TDP1CYP2D6CTNNB1
SCHEMBL16841696 0.74 CA1 (0.55) GRM2GRM3CA12CA1CA2
SCHEMBL19224560 0.74 CA1 (0.55) GRM2GRM3CA12CA1CA2
SCHEMBL19879529 0.74 CA1 (0.55) GRM2GRM3CA12CA1CA2
SCHEMBL8979913 0.74 CA1 (0.55) GRM2GRM3CA12CA1CA2
SCHEMBL6267681 0.74 CA1 (0.55) GRM2GRM3CA12CA1CA2
SCHEMBL7857698 0.74 CA1 (0.55) GRM2GRM3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824874-A PLANT PROTECTION, EXPRESSION OF A GENE THAT CODES FOR THE PEPTIDE ISOLATED FROM ASPERGILLLUS HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
US-5589624-A FOR PLANTS; FERMENTATION PRODUCT OF ASPERGILLUS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-31 US disclosed
US-5421839-A Fermentatiion of aspergillus giganteus HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-06 US disclosed
US-4954529-A MITICIDES, INSECTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-04 US disclosed