SCHEMBL11089459

SCHEMBL11089459

CCOC(CC(=O)O)C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.52
PARP1 P09874 1/20 0.51
PARP10 Q53GL7 1/20 0.51
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC2 Q92769 3/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL29006056 0.87 KLK7 (0.52) KLK7TSHRMEN1KMT2AHDAC2
SCHEMBL11090641 0.85 GAA (0.56) PARP1PARP10MEN1KMT2AMAPT
SCHEMBL11077468 0.85 PARP1 (0.53) PARP1PARP10MEN1KMT2AFFAR1
SCHEMBL11089899 0.84 PARP1 (0.68) KLK7PARP1PARP10MEN1KMT2A
SCHEMBL5509053 0.83 ALDH1A1 (0.52) KLK7MEN1KMT2AHDAC2ALDH1A1
SCHEMBL11077453 0.81 KLK7 (0.52) KLK7PARP1PARP10TSHRMEN1
SCHEMBL11078204 0.81 HDAC2 (0.61) KLK7PARP1PARP10HDAC2
SCHEMBL11088870 0.81 NLRP3 (0.47) PARP1PARP10MEN1KMT2AFFAR1
SCHEMBL11077425 0.81 ALDH1A1 (0.44) KLK7PARP1PARP10MEN1KMT2A
SCHEMBL11642274 0.80 HDAC2 (0.62) MEN1KMT2AHDAC2MAPTALDH1A1

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
US-4460782-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1984-07-17 US disclosed