SCHEMBL9465160

SCHEMBL9465160

CCC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ HCRTR1 O43613 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ IL1RN P18510 11/20 0.59
▸ ERAP2 Q6P179 11/20 0.59
▸ ERAP1 Q9NZ08 4/20 0.56
▸ ACE P12821 1/20 0.56
▸ CTSC P53634 1/20 0.56
▸ ANPEP P15144 1/20 0.56

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
SCHEMBL9465167 1.00 MEN1 (0.60) MEN1HCRTR1KMT2AIL1RNERAP2
SCHEMBL9464996 0.91 ECE1 (0.54) MEN1HCRTR1KMT2AIL1RNERAP2
SCHEMBL8725890 0.89 ACE (0.71) ACE
SCHEMBL5481232 0.89 ACE (0.71) ACE
SCHEMBL7397641 0.89 ACE (0.71) ACE
SCHEMBL23312954 0.89 ECE1 (0.67) IL1RNERAP2ERAP1ACECTSC
SCHEMBL3512696 0.89 ACE (0.71) ACE
SCHEMBL30051826 0.88 ACE (0.68) ERAP2ACE
SCHEMBL11940460 0.87 KMT2A (0.70) MEN1HCRTR1KMT2AIL1RNERAP2
SCHEMBL27257364 0.87 KMT2A (0.70) MEN1HCRTR1KMT2AIL1RNERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187195-A Vasodilators; endothelin agonists; 1,7,12-trioxo,3-methyl, 4a,8,12a,12b-tetrahydroxy,6a-(2-amino-2-acylethylthio)-1,4, 4a,5,6,6a,7,12,12a,12b-decahydroanthroquinones FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-16 — — US disclosed
EP-0405421-A2 Anthraquinone derivatives and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 — — EP disclosed
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