SCHEMBL7326228

SCHEMBL7326228

C=C(CC)C(=O)OCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PARP10 Q53GL7 2/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CDYL Q9Y232 1/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP15 Q460N3 1/20 0.41

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
SCHEMBL1130685 0.85 KMT2A (0.50) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL28702056 0.84 TDP1 (0.56) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL18499936 0.82 EPHX1 (0.49) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL27417491 0.82 EPHX1 (0.49) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL8400366 0.81 EPHX1 (0.51) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL29405404 0.80 ATM (0.56) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL28702058 0.80 TDP1 (0.56) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL6835387 0.79 KMT2A (0.56) ATMTDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL24106416 0.79 TDP1 (0.42) EPHX1ATMTDP1KMT2AMEN1
SCHEMBL27902648 0.78 EPHX1 (0.46) EPHX1ATMTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed