SCHEMBL11468989

SCHEMBL11468989

O=C(O)c1ccc(NCCCCCCCCCCCCCC2=CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PRSS1 P07477 6/20 0.43
F2 P00734 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL11462479 1.00 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11479106 0.95 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11480678 0.84 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11480682 0.84 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11399924 0.80 SMN1; SMN2 (0.39) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11405063 0.75 MAPK1 (0.57) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL11400707 0.75 MAPK1 (0.57) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL11398619 0.75 MAPK1 (0.57) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL14399353 0.75 SRD5A2 (0.56) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11176612 0.75 ALDH1A1 (0.57) ALDH1A1MAPTPRSS1F2PRSS2

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-4227014-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US claimed