SCHEMBL8040501

SCHEMBL8040501

COc1ccccc1C=C(C(C)=O)C(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
MAPT P10636 4/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.64
PLIN1 O60240 1/20 0.64
POLB P06746 1/20 0.64
PLIN5 Q00G26 1/20 0.64
ABHD5 Q8WTS1 1/20 0.64
KDM4E B2RXH2 3/20 0.59
NFE2L2 Q16236 2/20 0.56
TFEB P19484 1/20 0.56
PKM P14618 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
BCHE P06276 1/20 0.50
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9478629 0.91 LMNA (0.59) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL7414397 0.91 LMNA (0.59) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL11002399 0.90 MAPT (0.61) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL10353470 0.90 MAPT (0.61) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL11763791 0.85 KDM4E (0.59) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL11763787 0.85 KDM4E (0.59) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL998236 0.85 LMNA (0.64) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL10756378 0.85 KMT2A (0.86) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL15026368 0.85 KMT2A (0.86) LMNAMAPTKMT2AMEN1PLIN1
SCHEMBL10756388 0.85 KMT2A (0.86) LMNAMAPTKMT2AMEN1PLIN1

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
EP-0440324-B1 Substituted beta-diketones and their use in the treatment of inflammatory bowel disease ORION YHTYMAE OY (FI) 2000-04-12 EP disclosed