Sugi Predict

Sugi Predict / Compounds / SCHEMBL11246092

SCHEMBL11246092

SCHEMBL11246092

CCCCCCCCCCCCCCCCNc1ccc(CC(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.46
▸ PLK1 P53350 3/20 0.46
▸ F2 P00734 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ TMPRSS6 Q8IU80 2/20 0.46
▸ ST14 Q9Y5Y6 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ CA2 P00918 1/20 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
SCHEMBL11242222 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL10576685 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL11227278 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL11240393 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL11235833 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL11234116 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL11235403 0.86 ALDH1A1 (0.60) PLK1HPGD
SCHEMBL11242133 0.85 S1PR1 (0.48) HPGDCA2
SCHEMBL11240153 0.85 SPHK1 (0.51) CA2
Hydrochloric Acid SCHEMBL11237558 0.84 ALDH1A1 (0.58) PLK1HPGD

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