Pivalate

Pivalate

SCHEMBL7874022

CC(C)(C)C(=O)O.CCC(C(=O)Oc1ccc(S)cc1)c1cccn1C

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ELANE P08246 7/20 0.32
GAA P10253 3/20 0.30
PRTN3 P24158 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CXCR2 P25025 1/20 0.30

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
Pivalate SCHEMBL8129979 0.82 MEN1 (0.48) MEN1KMT2ALMNAATML3MBTL1
SCHEMBL7385357 0.79 PTGS2 (0.42) LMNA
SCHEMBL7870692 0.78 MEN1 (0.31) MEN1KMT2ALMNAATML3MBTL1
SCHEMBL7387231 0.78 NPC1 (0.32) MEN1KMT2ALMNANPC1ELANE
SCHEMBL7376958 0.74 KMT2A (0.40) MEN1KMT2ALMNANPC1RAB9A
Methane SCHEMBL7344826 0.73 L3MBTL1 (0.46) MEN1KMT2ALMNAATML3MBTL1
SCHEMBL7385350 0.72 GAA (0.38) KMT2ALMNAATML3MBTL1NPC1
Pivalate SCHEMBL7867130 0.71 KEAP1 (0.39) NPC1RAB9A
SCHEMBL7379152 0.70 MAOB (0.41) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL155788 0.63 L3MBTL1 (0.56) MEN1KMT2ALMNAATML3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed