SCHEMBL7774705

SCHEMBL7774705

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.45
▸ NAAA Q02083 7/20 0.42
▸ CDC25B P30305 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPSE Q9Y251 1/20 0.39
▸ DAGLA Q9Y4D2 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
SCHEMBL7781941 0.81 KMT2A (0.44) PTPN1MEN1ALDH1A1HPGDKMT2A
SCHEMBL7227601 0.77 DGKA (0.42) —
SCHEMBL7226347 0.77 LMNA (0.45) PTPN1MEN1ALDH1A1HPGDKMT2A
SCHEMBL9472732 0.76 MAPK1 (0.46) PTPN1MEN1ALDH1A1HPGDKMT2A
SCHEMBL9472679 0.75 TNF (0.41) PTPN1MEN1ALDH1A1HPGDKMT2A
SCHEMBL21218487 0.72 ALDH1A1 (0.47) NAAAALDH1A1KMT2A
SCHEMBL3756791 0.71 SSTR1 (0.46) PTPN1CDC25B
SCHEMBL13449596 0.70 SELP (0.41) PTPN1CDC25BHPSE
SCHEMBL30592278 0.70 HPSE (0.49) PTPN1CDC25BMEN1ALDH1A1KMT2A
SCHEMBL17867736 0.70 TNF (0.44) PTPN1ALDH1A1

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
Send feedback