SCHEMBL14070123

SCHEMBL14070123

CCC(C[N+](C)(C)C)NC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRAT P43155 1/20 0.63
▸ CPT2 P23786 3/20 0.39
▸ CPT1A P50416 3/20 0.39
▸ CPT1B Q92523 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GALR3 O60755 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL422585 0.81 — —
SCHEMBL5712374 0.78 CRAT (1.00) CRATCPT2CPT1ACPT1BSLC22A16
Hydrochloric Acid SCHEMBL10415559 0.78 CRAT (0.68) CRATCPT2CPT1ACPT1BGALR3
Hydrochloric Acid SCHEMBL10415560 0.78 CRAT (0.68) CRATCPT2CPT1ACPT1BGALR3
SCHEMBL5712398 0.78 CRAT (1.00) CRATCPT2CPT1ACPT1BSLC22A16
Hydrochloric Acid SCHEMBL10415561 0.78 CRAT (0.68) CRATCPT2CPT1ACPT1BGALR3
SCHEMBL4339313 0.78 CRAT (1.00) CRATCPT2CPT1ACPT1BSLC22A16
Water SCHEMBL31410939 0.75 TSHR (0.44) CRATCPT2CPT1ACPT1BTSHR
SCHEMBL14970377 0.75 — —
SCHEMBL48989 0.75 — —

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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