SCHEMBL13617042

SCHEMBL13617042

COCCCN(C)CCC=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.35
FDPS P14324 6/20 0.35
PIK3CD O00329 1/20 0.33
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
AGTR1 P30556 1/20 0.30
OPRM1 P35372 1/20 0.30
PDE3A Q14432 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
SCHEMBL2561263 0.87 PIK3CD (0.45) GGPS1PIK3CD
SCHEMBL9387067 0.82 PIK3CD (0.44) FDPSPIK3CDSCN1ASCN2ASCN3A
SCHEMBL29955365 0.81 PIK3CD (0.34) PIK3CD
SCHEMBL29169584 0.79 ALDH1A1 (0.42) TSHRHIF1A
SCHEMBL25075478 0.77 CHRM2 (0.42) GGPS1FDPSPIK3CDSCN1ASCN2A
SCHEMBL9025471 0.77 PIK3CD (0.52) FDPSPIK3CDSCN1ASCN2ASCN3A
SCHEMBL8853018 0.77 CA12 (0.42) TSHRHIF1A
SCHEMBL29956245 0.76 TSHR (0.52) GGPS1FDPSTSHRAGTR1OPRM1
SCHEMBL26968850 0.76 PIK3CD (0.37) FDPSPIK3CDSCN1ASCN2ASCN3A
SCHEMBL18596478 0.75 LMNA (0.30)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed