SCHEMBL15323014

SCHEMBL15323014

CC(O)COC(=O)[C@@H](N)Cc1ccccc1.C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ SLC25A20 O43772 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ SLC6A5 Q9Y345 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC15A1 P46059 1/20 0.35

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
SCHEMBL15324089 0.83 MEN1 (0.49) MEN1KMT2ACYP2C19RECQLCYP1A2
Carnitine SCHEMBL9990271 0.79 SLC22A16 (0.44) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL4201261 0.78 MEN1 (0.61) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL27472872 0.78 MEN1 (0.61) MEN1KMT2ACYP2C19RECQLCYP1A2
Levocarnitine Propionate SCHEMBL4201263 0.78 MEN1 (0.61) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL9625918 0.76 MEN1 (0.60) MEN1KMT2ACYP2C19RECQLCYP1A2
Phenylalanine SCHEMBL15323789 0.75 ANPEP (0.46) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL28508907 0.75 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLCYP1A2
Hydrochloric Acid SCHEMBL3637399 0.73 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
Hydrochloric Acid SCHEMBL17004055 0.73 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2

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-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 — — EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 — — WO disclosed
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