SCHEMBL10415637

SCHEMBL10415637

CCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 2/20 1.00
▸ CPT1A P50416 2/20 1.00
▸ CPT1B Q92523 2/20 1.00
▸ CRAT P43155 1/20 0.58

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
SCHEMBL10415639 1.00 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
Palmitoylaminocarnitine SCHEMBL10414832 1.00 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
Palmitoylaminocarnitine SCHEMBL10414831 1.00 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
SCHEMBL3688365 0.87 CPT2 (0.76) CPT2CPT1ACPT1B
Hydrochloric Acid SCHEMBL10416325 0.83 CPT2 (0.71) CPT2CPT1ACPT1B
Teglicar SCHEMBL3685373 0.80 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
Teglicar SCHEMBL4450575 0.80 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
Teglicar SCHEMBL3687135 0.80 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
SCHEMBL2912378 0.80 CPT2 (1.00) CPT2CPT1ACPT1BCRAT
SCHEMBL27259990 0.79 CPT2 (0.66) CPT2CPT1ACPT1BCRAT

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-4948534-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-14 — — US disclosed
EP-0127098-B1 DERIVATIVES OF BETA-AMINO-GAMMA-TRIMETHYLAMMONIO-BUTYRATE, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-02-08 — — EP disclosed
US-4767781-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-08-30 — — US disclosed
EP-0127098-A2 Derivatives of beta-amino-gamma-trimethylammonio-butyrate, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-05 — — EP disclosed
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