SCHEMBL11564389

SCHEMBL11564389

CCN1c2cc(S(C)(=O)=O)ccc2OC(CC(=O)O)C1CN1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11556325 0.86 TSHR (0.42) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL11558455 0.86 RIPK1 (0.37) KDM4E
SCHEMBL11557137 0.85 ALOX15 (0.46) ALDH1A1TSHRPOLBKMT2AALOX15
SCHEMBL11561701 0.85 MCL1 (0.36) AKR1B1ALDH1A1GAATSHRPOLB
SCHEMBL11554946 0.84 ALDH1A1 (0.36) ALDH1A1TSHRPOLBKMT2AL3MBTL1
SCHEMBL11555657 0.83 P2RX7 (0.38) ALDH1A1KMT2A
SCHEMBL10443950 0.62 HCRTR2 (0.48) AKR1B1HCRTR2
SCHEMBL15964523 0.56 PDE3B (0.40) ALDH1A1GAAKDM4EKMT2A
SCHEMBL13073825 0.56 HCRTR2 (0.47) AKR1B1HCRTR2
SCHEMBL12828184 0.56 XIAP (0.50) ALDH1A1KDM4EPOLBKMT2AL3MBTL1

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-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 — — US disclosed
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