SCHEMBL10998909

SCHEMBL10998909

Cc1ccc(C(=O)SCCC(=O)N2C(C(=O)O)CCC2c2ccccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ FFAR2 O15552 5/20 0.45
▸ ACE P12821 4/20 0.42
▸ TERT O14746 1/20 0.42
▸ MME P08473 1/20 0.40

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
SCHEMBL11090005 0.93 KMT2A (0.61) KMT2AFFAR2ACE
SCHEMBL10995530 0.84 ACE (0.46) KMT2AFFAR2ACETERT
SCHEMBL11191699 0.83 ACE (0.47) KMT2AFFAR2ACE
SCHEMBL10824004 0.82 KMT2A (0.46) KMT2AFFAR2ACE
SCHEMBL11247723 0.80 KMT2A (0.66) KMT2AFFAR2ACEMME
SCHEMBL10998914 0.78 ACE (0.48) FFAR2ACETERTMME
SCHEMBL11188897 0.77 ACE (0.63) FFAR2ACE
SCHEMBL11092497 0.76 KMT2A (0.43) KMT2A
SCHEMBL11097991 0.76 KMT2A (0.43) KMT2A
SCHEMBL10938815 0.75 ACE (0.71) KMT2AFFAR2ACE

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-4496578-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 — — US claimed
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