SCHEMBL16915066

SCHEMBL16915066

CC(CC(=O)O)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ CYP1A2 P05177 4/20 0.61
▸ HRH1 P35367 1/20 0.61
▸ CYP2C19 P33261 2/20 0.58
▸ RECQL P46063 1/20 0.58
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SLC25A20 O43772 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ SLC6A5 Q9Y345 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ THPO P40225 1/20 0.50

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
SCHEMBL5824225 0.86 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL235232 0.86 MEN1 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1643494 0.86 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL9445136 0.86 MEN1 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5427280 0.84 MEN1 (0.61) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL677165 0.83 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL234697 0.83 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2565442 0.83 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5085304 0.83 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL30516606 0.83 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19

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-3094968-A1 METABOLIC SCREENING FOR GESTATIONAL DIABETES The Regents of The University of California (US) 2016-11-23 — — EP disclosed
WO-2015109116-A1 METABOLIC SCREENING FOR GESTATIONAL DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-23 — — WO disclosed
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