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SCHEMBL11257600

SCHEMBL11257600

O=C(O)[C@@H]1CSC(c2ccccc2O)N1C(=O)CCSSCC(CCN1C(=O)c2ccccc2C1=O)(CCN1C(=O)c2ccccc2C1=O)C(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ FFAR2 O15552 8/20 0.35
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KEAP1 Q14145 3/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL11252420 0.92 ACE (0.55) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL11188759 0.87 ACE (0.37) ACEALDH1A1POLBHPGDGAA
SCHEMBL11261862 0.85 ACE (0.60) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL11195316 0.85 ACE (0.55) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL11221414 0.83 ACE (0.55) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL10969779 0.82 ACE (0.77) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL10979196 0.82 ACE (0.77) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL11185062 0.82 ACE (0.77) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL11196508 0.81 ACE (0.55) ACEALDH1A1POLBHPGDFFAR2
SCHEMBL11195371 0.80 ACE (0.73) ACEALDH1A1POLBHPGDFFAR2

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-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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