SCHEMBL4749052

SCHEMBL4749052

CCCCCCc1ccc(C#Cc2ccc(C(=O)NC(CC(=O)O)C[N+](C)(C)C)o2)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 4/20 0.36
S1PR1 P21453 4/20 0.36
CPT2 P23786 3/20 0.36
CPT1A P50416 3/20 0.36
CPT1B Q92523 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
S1PR3 Q99500 3/20 0.34
S1PR4 O95977 2/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 1/20 0.34
FFAR1 O14842 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL4749043 1.00 S1PR2 (0.36) S1PR2S1PR1CPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL3685224 0.94 CPT2 (0.34) S1PR2S1PR1CPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL3685221 0.94 CPT2 (0.34) S1PR2S1PR1CPT2CPT1ACPT1B
SCHEMBL3690234 0.93 CPT2 (0.44) CPT2CPT1ACPT1B
SCHEMBL3690230 0.93 CPT2 (0.44) CPT2CPT1ACPT1B
SCHEMBL13444482 0.91 TAS1R3 (0.37) S1PR2S1PR1TAS1R3TAS1R1S1PR3
SCHEMBL3685222 0.86 CPT2 (0.33) CPT2CPT1ACPT1BTAS1R3TAS1R1
SCHEMBL13410033 0.84 S1PR1 (0.42) S1PR2S1PR1TAS1R3TAS1R1S1PR3
SCHEMBL13410036 0.83 S1PR2 (0.39) S1PR2S1PR1CPT2CPT1ACPT1B
SCHEMBL14070436 0.82 S1PR2 (0.39) S1PR2S1PR1CPT2CPT1ACPT1B

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 claimed