SCHEMBL7781941

SCHEMBL7781941

CCCCCCCC(=O)OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TNF P01375 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MDM2 Q00987 2/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ SELP P16109 5/20 0.38
▸ TACR2 P21452 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9472732 0.92 MAPK1 (0.46) KMT2ALMNATNFTP53MDM2
SCHEMBL9472679 0.91 TNF (0.41) KMT2ALMNATNFTP53MDM2
SCHEMBL7226347 0.85 LMNA (0.45) KMT2ALMNATNFTP53MDM2
SCHEMBL15516519 0.82 TP53 (0.55) KMT2ALMNATP53MDM2PTPN1
SCHEMBL7774705 0.81 PTPN1 (0.45) KMT2APTPN1MEN1ALDH1A1HPGD
SCHEMBL7774709 0.80 MAPK1 (0.50) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL17867736 0.80 TNF (0.44) TNFPTPN1ALDH1A1TACR2CYP3A4
SCHEMBL10960740 0.78 SELP (0.42) LMNASELP
SCHEMBL7774713 0.78 TP53 (0.47) KMT2ALMNATNFTP53MDM2
SCHEMBL9472943 0.78 POLB (0.53) KMT2ALMNATNFPOLBMEN1

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
EP-1131311-A1 2-ACYLAMINO-2-DEOXY-GLUCONO-1,5-LACTONES, METHOD FOR OBTAINING SAME, COMPOSITIONS COMPRISING THEM AND USES UNIVERSITE PIERRE ET MARIE CURIE PARIS VI (FR) 2001-09-12 — — EP disclosed
WO-2000031059-A1 2-ACYLAMINO-2-DEOXY-GLUCONO-1,5-LACTONES, METHOD FOR OBTAINING SAME, COMPOSITIONS COMPRISING THEM AND USES UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2000-06-02 — — WO disclosed
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