SCHEMBL21985202

SCHEMBL21985202

C#CCC(=C)NCCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.34
RNPEP Q9H4A4 2/20 0.34
DNPEP Q9ULA0 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12061981 0.76 ANPEP (0.37) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL23944946 0.76 ANPEP (0.37) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL21985068 0.75 LMNA (0.42) ANPEPRNPEPDNPEPALDH1A1CYP2C19
SCHEMBL21985062 0.74 ANPEP (0.36) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL21985204 0.74 ANPEP (0.40) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL20118026 0.72 CNR1 (0.38) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL19058821 0.70
SCHEMBL14511685 0.69
SCHEMBL15086044 0.69 ANPEP (0.38) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL24717118 0.69

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-3303473-B1 ANTIFOULING POLYMERIC COATING COMPOSITIONS UNIV BRITISH COLUMBIA (CA) 2020-05-13 EP disclosed