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Sugi Predict / Compounds / SCHEMBL11049699

SCHEMBL11049699

SCHEMBL11049699

CC(=O)SCCC(=O)N1c2ccc(O)cc2CCC1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PDK1 Q15118 5/20 0.39
▸ PDK2 Q15119 5/20 0.39
▸ PDK3 Q15120 5/20 0.39
▸ PDK4 Q16654 5/20 0.39
▸ HSP90AA1 P07900 2/20 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
SCHEMBL11045811 0.90 ACE (0.41) ACEMAPK1
SCHEMBL11046064 0.89 ACE (0.42) ACEMAPK1
SCHEMBL11047965 0.85 ACE (0.55) ACE
SCHEMBL11043199 0.85 ACE (0.55) ACE
SCHEMBL11052446 0.84 ACE (0.54) ACE
SCHEMBL11052441 0.84 ACE (0.54) ACE
SCHEMBL11045994 0.82 TDP1 (0.36) ACEMAPK1
SCHEMBL11043214 0.82 ACE (0.42) ACEMAPK1
SCHEMBL11045626 0.81 ACE (0.39) ACEMAPK1
SCHEMBL11045822 0.81 MEN1 (0.43) ACEMAPK1

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-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 — — US claimed
US-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 — — US disclosed