SCHEMBL8303981

SCHEMBL8303981

COC(=O)CCCNC1Cc2ccc(C(=O)CCC(=O)OC)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
PRMT5 O14744 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
GRIN2B Q13224 2/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL8309501 0.82 GRIN2B (0.53) PRMT5MAPTALDH1A1KMT2ALMNA
SCHEMBL26291172 0.81 MAPT (0.45) MCHR1PRMT5MAPTKMT2AMEN1
SCHEMBL10405811 0.81 CA1 (0.40) MCHR1MAPTALDH1A1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL10406133 0.80 CA1 (0.39) MCHR1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL8292532 0.77 MTNR1A (0.47) MCHR1
SCHEMBL8300330 0.77 TBXA2R (0.43) MCHR1KMT2AMEN1LMNADRD3
SCHEMBL8307654 0.76 CA1 (0.46) MCHR1HDAC8CA1CA2
SCHEMBL10405664 0.76 NR1H2 (0.48) KMT2AMEN1
SCHEMBL8296298 0.76 MTNR1A (0.44) MCHR1
SCHEMBL26291175 0.75 CA12 (0.38) PRMT5MAPTALDH1A1KDM4EGAA

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-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed