SCHEMBL28312902

SCHEMBL28312902

CCC1(CC)C(=O)N(c2ccccc2)C(C)=C1C

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.71
PGR P06401 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17716273 0.82 ELANE (0.89) ELANEPGRNPSR1
Phetharbital SCHEMBL78655 0.76 ELANE (0.71) ELANEPGRNPSR1
SCHEMBL10952562 0.75 ELANE (1.00) ELANENPSR1SMN1; SMN2
SCHEMBL4428745 0.69 ELANE (0.74) ELANENPSR1
SCHEMBL9839213 0.69 ELANE (0.59) ELANEPGR
SCHEMBL19923423 0.69 ELANE (0.61) ELANEPGRNPSR1SMN1; SMN2
SCHEMBL17716633 0.67 ELANE (0.53) ELANESMN1; SMN2
SCHEMBL28713643 0.67 ELANE (0.56) ELANEPGRSMN1; SMN2
SCHEMBL22746205 0.67 ELANE (0.62) ELANEPGRSMN1; SMN2
SCHEMBL22745995 0.67 ELANE (0.62) ELANEPGRSMN1; SMN2

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
CN-110143910-A A kind of preparation method of polysubstituted pyrrole alkanone derivative 华侨大学 2019-08-20 CN disclosed