SCHEMBL4787426

SCHEMBL4787426

C[N+](C)(C)C[C@@H](CC(=O)[O-])Nc1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.45
▸ CRAT P43155 1/20 0.42
▸ CPT2 P23786 4/20 0.39
▸ CPT1A P50416 4/20 0.39
▸ CPT1B Q92523 3/20 0.39
▸ PTGES O14684 4/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC22A16 Q86VW1 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
SCHEMBL3680338 0.81 ACACB (0.46) CRATCPT2CPT1ACPT1BPTGES
SCHEMBL3680337 0.81 ACACB (0.46) CRATCPT2CPT1ACPT1BPTGES
SCHEMBL3687169 0.77 CRAT (0.49) CRAT
SCHEMBL3687172 0.77 CRAT (0.49) CRAT
SCHEMBL3680825 0.73 CRAT (0.44) CRATCPT2CPT1ACPT1B
SCHEMBL3680827 0.73 CRAT (0.44) CRATCPT2CPT1ACPT1B
SCHEMBL3683754 0.72 ALDH1A1 (0.49) CRATCPT2CPT1ACPT1B
SCHEMBL3683757 0.72 ALDH1A1 (0.49) CRATCPT2CPT1ACPT1B
SCHEMBL13409957 0.71 ACACB (0.47) PTGESFFAR1
SCHEMBL3683536 0.70 CPT2 (0.43) 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
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