SCHEMBL9469148

SCHEMBL9469148

CCOC(=O)CCCOc1ccccc1/C=C/I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
S1PR4 O95977 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ITGA4 P13612 1/20 0.53
HPGD P15428 1/20 0.53
S1PR1 P21453 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TLR9 Q9NR96 1/20 0.53
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 2/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
LTA4H P09960 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.44

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
SCHEMBL9469663 1.00 LMNA (0.53) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL9469150 1.00 LMNA (0.53) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL9470150 0.96 LMNA (0.52) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL9470154 0.96 LMNA (0.52) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL9469062 0.86 MAPT (0.49) LMNASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL2903656 0.86 ALDH1A1 (0.57) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL9469063 0.86 MAPT (0.49) LMNASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL10741824 0.82 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL10740479 0.82 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTNPC1S1PR4
SCHEMBL10738850 0.82 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTNPC1S1PR4

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
US-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed