SCHEMBL28043834

SCHEMBL28043834

CC(=O)C(Sc1ccccc1)C(=O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PAX8 Q06710 1/20 0.39
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL7367263 0.77 KMT2A (0.47) PKMLMNAPOLBMAPK1MTNR1A
SCHEMBL11269432 0.73 PKM (0.46) PKMLMNAPOLBMAPK1MTNR1A
SCHEMBL6965136 0.71 LMNA (0.46) PKMLMNAPOLBMAPK1ALDH1A1
SCHEMBL27684874 0.70 LMNA (0.49) PKMLMNAMTNR1AMTNR1BALDH1A1
SCHEMBL8432279 0.69 SMN1; SMN2 (0.43) PKMLMNAPOLBMAPK1ALDH1A1
SCHEMBL8793840 0.68 FFAR1 (0.47) PKMLMNAALDH1A1L3MBTL1GAA
SCHEMBL8555710 0.68 LMNA (0.44) PKMLMNAPOLBMAPK1MTNR1A
SCHEMBL8329718 0.68 PIN1 (0.50) PKMPOLBALDH1A1MAPTKDM4E
SCHEMBL6686346 0.67 EPHX1 (0.45) PKMLMNAPOLBMAPK1L3MBTL1
Acetic Acid SCHEMBL22497414 0.67 LMNA (0.47) PKMLMNAPOLBMAPK1MTNR1A

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-105189463-A Pyridazinone compound and process for producing the same TAKEDA PHARMACEUTICAL 2015-12-23 CN disclosed