SCHEMBL11096470

SCHEMBL11096470

CC(C)(C)C(=O)[C@H](CS)C(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.61
▸ LMNA P02545 1/20 0.41
▸ FFAR2 O15552 12/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL10968292 0.89 ACE (0.64) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11066109 0.85 ACE (0.63) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10938811 0.85 ACE (0.63) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11065988 0.84 ACE (0.67) ACELMNA
SCHEMBL683556 0.84 ACE (0.67) ACELMNA
SCHEMBL11096479 0.82 ACE (0.64) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10824002 0.81 FFAR2 (0.41) ACEFFAR2
SCHEMBL683644 0.80 ACE (0.67) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11063036 0.78 ACE (0.82) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10940835 0.78 ACE (0.60) ACELMNAFFAR2ALDH1A1POLB

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-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 — — US claimed
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