SCHEMBL11249595

SCHEMBL11249595

CC(C)CCCCCCCCCCCCCNc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
ADORA2A P29274 1/20 0.41
CYP19A1 P11511 2/20 0.41
POLB P06746 1/20 0.40
RARB P10826 1/20 0.40
PLK1 P53350 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL11234832 1.00 PRSS1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11069895 0.88 RARB (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11075874 0.88 RARB (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6139653 0.88 RARB (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11350271 0.87 RARB (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11245590 0.83 PLK1 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11234252 0.83 PLK1 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11563318 0.83 PRSS1 (0.42) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11286580 0.82 PRSS1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11562499 0.82 POLB (0.57) PRSS1F2PRSS2PRSS3TMPRSS6

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed