SCHEMBL16179518

SCHEMBL16179518

O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(NC(=O)c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 3/20 1.00
▸ MEN1 O00255 8/20 0.82
▸ KMT2A Q03164 8/20 0.82
▸ SIRT3 Q9NTG7 1/20 0.82
▸ KCNK3 O14649 1/20 0.62
▸ KCNK9 Q9NPC2 1/20 0.62
▸ APOBEC3G Q9HC16 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ POLB P06746 3/20 0.62
▸ MAPT P10636 3/20 0.61
▸ GAA P10253 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ PSMD14 O00487 1/20 0.60
▸ CACNA1B Q00975 1/20 0.60
▸ APBA1 Q02410 1/20 0.60
▸ RAB9A P51151 2/20 0.57

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
SCHEMBL29564094 0.90 MEN1 (1.00) SIRT6MEN1KMT2ASIRT3KCNK3
SCHEMBL16179714 0.90 MEN1 (1.00) SIRT6MEN1KMT2ASIRT3KCNK3
SCHEMBL16179844 0.90 SIRT6 (1.00) SIRT6MEN1KMT2ASIRT3KCNK3
SCHEMBL1129948 0.81 KMT2A (0.77) SIRT6MEN1KMT2ASIRT3KCNK3
SCHEMBL15056399 0.81 RAB9A (0.75) SIRT6MEN1KMT2AAPOBEC3GALDH1A1
SCHEMBL16179842 0.81 KMT2A (0.83) SIRT6MEN1KMT2ASIRT3KCNK3
SCHEMBL13805528 0.80 SIRT6 (0.65) SIRT6MEN1KMT2ASIRT3ALDH1A1
SCHEMBL16028728 0.79 RAB9A (0.74) SIRT6MEN1KMT2ASIRT3ALDH1A1
SCHEMBL16028452 0.79 RAB9A (0.74) SIRT6MEN1KMT2ASIRT3KCNK3
SCHEMBL6357310 0.79 SIRT6 (0.65) SIRT6MEN1KMT2AKCNK3KCNK9

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
WO-2014170873-A1 COMPOUNDS WITH A SIRTUIN INHIBITING ACTIVITY UNIVERSITÀ DEGLI STUDI DI GENOVA (IT) 2014-10-23 — — WO claimed
WO-2014170873-A1 COMPOUNDS WITH A SIRTUIN INHIBITING ACTIVITY UNIVERSITÀ DEGLI STUDI DI GENOVA (IT) 2014-10-23 — — WO disclosed
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