SCHEMBL9753833

SCHEMBL9753833

COCC[C@@H](CC1(C(=O)O)CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.49
ALDH1A1 P00352 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
ECE1 P42892 1/20 0.37

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
SCHEMBL5925056 1.00 MME (0.49) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL5796118 0.99 MME (0.48) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL9337016 0.88 MME (0.52) MMEALDH1A1
SCHEMBL6430188 0.88 MME (0.52) MMEALDH1A1
SCHEMBL9469466 0.87 MME (0.44) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL5924842 0.86 MME (0.44) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL9753583 0.86 MME (0.44) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL6804184 0.86 MME (0.46) MMEALDH1A1
SCHEMBL6804195 0.86 MME (0.46) MMEALDH1A1
SCHEMBL6806362 0.85 MME (0.46) MMEALDH1A1

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
WO-1991010644-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed