SCHEMBL22282965

SCHEMBL22282965

CCOc1ccc(CCC(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
SLC5A1 P13866 1/20 0.57
SLC5A2 P31639 1/20 0.57
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53
ACACB O00763 2/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NPC1 O15118 1/20 0.50
NQO1 P15559 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4681504 0.91 PARP10 (0.56) PARP10SLC5A1SLC5A2LMNAL3MBTL1
SCHEMBL27577987 0.86 LMNA (0.64) SLC5A1SLC5A2LMNAL3MBTL1FFAR1
SCHEMBL1205605 0.84 LMNA (0.75) SLC5A1SLC5A2LMNAL3MBTL1FFAR1
SCHEMBL8819093 0.84 SLC5A1 (0.59) PARP10SLC5A1SLC5A2LMNAL3MBTL1
SCHEMBL1295644 0.83 SLC5A1 (0.55) PARP10SLC5A1SLC5A2LMNAL3MBTL1
SCHEMBL1413843 0.81 F2RL1 (0.68) SLC5A1SLC5A2L3MBTL1ALDH1A1FFAR1
SCHEMBL700166 0.81 PARP10 (0.61) PARP10LMNAALDH1A1NQO1KDM4E
SCHEMBL4411258 0.81 MAPT (0.54) PARP10SLC5A1SLC5A2LMNAL3MBTL1
SCHEMBL26173127 0.81 ALOX15 (0.53) LMNAL3MBTL1ALDH1A1FFAR1FFAR4
SCHEMBL12548774 0.81 HTT (0.60) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1

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
EP-3687311-A1 AMIDES FOR GENERATING A TRIGEMINAL EFFECT Symrise AG (DE) 2020-08-05 EP disclosed