SCHEMBL4787986

SCHEMBL4787986

CCCCCCOc1cccc(OCCCCCN(C(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C)S(C)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 3/20 0.66
CPT1A P50416 3/20 0.66
CPT1B Q92523 3/20 0.66

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
SCHEMBL3688614 0.87 CPT2 (0.70) CPT2CPT1ACPT1B
SCHEMBL3688617 0.87 CPT2 (0.70) CPT2CPT1ACPT1B
SCHEMBL3679655 0.82 CPT2 (0.63) CPT2CPT1ACPT1B
SCHEMBL3041187 0.81 CPT2 (0.75) CPT2CPT1ACPT1B
SCHEMBL3677864 0.80 CPT2 (0.72) CPT2CPT1ACPT1B
SCHEMBL3677867 0.80 CPT2 (0.72) CPT2CPT1ACPT1B
SCHEMBL3679658 0.78 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL3679660 0.78 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL13410025 0.76 CPT2 (0.52) CPT2CPT1ACPT1B
SCHEMBL13568150 0.75 CPT2 (0.62) CPT2CPT1ACPT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO disclosed