SCHEMBL16915065

SCHEMBL16915065

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CYP1A2 P05177 4/20 0.56
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ GMNN O75496 3/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ HSP90AA1 P07900 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ NR1H4 Q96RI1 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ CYP2C19 P33261 2/20 0.54
▸ RECQL P46063 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ PMP22 Q01453 1/20 0.54

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
SCHEMBL15813909 0.84 LMNA (0.57) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL5427277 0.84 LMNA (0.57) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL12137165 0.83 LMNA (0.64) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL5085300 0.83 LMNA (0.55) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL21631711 0.83 MEN1 (0.60) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL29137661 0.83 MEN1 (0.60) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL20742884 0.82 LMNA (0.62) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL19923320 0.82 LMNA (0.62) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Bromide SCHEMBL6143111 0.82 LMNA (0.62) LMNASMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL19923321 0.82 LMNA (0.62) LMNASMN1; SMN2CYP1A2MEN1KMT2A

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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