SCHEMBL9752791

SCHEMBL9752791

CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.40
CTSK P43235 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9753211 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9752792 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9753154 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9753156 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13699375 0.80 CA12 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13699279 0.80 CA12 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13699280 0.80 CA12 (0.50) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9469634 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL9470587 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL9470580 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMAPT

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-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed