SCHEMBL11279740

SCHEMBL11279740

NC(=O)CC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CYP2C19 P33261 1/20 0.42
PARP10 Q53GL7 2/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CTNNB1 P35222 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
SCHEMBL1538040 0.83 ALOX15 (0.48) SMN1; SMN2CYP1A2PKMMTNR1AMTNR1B
SCHEMBL28444649 0.83 MTNR1A (0.44) CYP1A2PKMMTNR1AMTNR1BCYP2C19
SCHEMBL9317509 0.81 MTNR1A (0.56) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL15662995 0.77 MTNR1A (0.40) CYP1A2PKMMTNR1AMTNR1BCYP2C19
SCHEMBL6693550 0.74 MAPT (0.43) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL10004524 0.74 CYP2C19 (0.42) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL12537686 0.73 MTNR1A (0.44) CYP1A2PKMMTNR1AMTNR1BCYP2C19
SCHEMBL28001929 0.73 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL18248628 0.73 SMN1; SMN2 (0.41) SMN1; SMN2CYP2D6MTNR1AMTNR1BPPARG
SCHEMBL11884465 0.72 PARP10 (0.45) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011802-B1 PHENOXY-PHENOXY-PROPIONIC ACID AMIDES, PROCESSES FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN CONTROLLING THE GROWTH OF WEEDS HOECHST AKTIENGESELLSCHAFT (DE) 1982-09-15 EP claimed
EP-0011802-A1 Phenoxy-phenoxy-propionic acid amides, processes for their preparation, herbicidal compositions containing them and their use in controlling the growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-11 EP disclosed
EP-0011802-A1 Phenoxy-phenoxy-propionic acid amides, processes for their preparation, herbicidal compositions containing them and their use in controlling the growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-11 EP disclosed