SCHEMBL15028624

SCHEMBL15028624

NCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
CYP1A2 P05177 1/20 0.47
HTR2C P28335 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ALDH1A1 P00352 3/20 0.43
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
PLG P00747 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC6A2 P23975 1/20 0.43
RECQL P46063 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
PAOX Q6QHF9 1/20 0.42
MGLL Q99685 1/20 0.41
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL27139420 0.96 DGKA (0.50) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL14365471 0.92 DGKA (0.47) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL3764429 0.92 DGKA (0.54) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL11853523 0.92 DGKA (0.54) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL11847129 0.92 DGKA (0.54) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL27588223 0.92 DGKA (0.54) DGKACYP1A2HTR2CPRSS1PRSS2
Hydrochloric Acid SCHEMBL11847579 0.90 DGKA (0.52) DGKACYP1A2HTR2CPRSS1PRSS2
Sulfuric Acid SCHEMBL23572703 0.89 DGKA (0.44) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL28577945 0.88 CYP1A2 (0.59) DGKACYP1A2HTR2CPRSS1PRSS2
SCHEMBL11859829 0.88 CYP1A2 (0.54) DGKACYP1A2HTR2CPRSS1PRSS2

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-20130148077-A1 CONTACT LENSES WITH ENZYMATICALLY DEGRADABLE COATINGS THEREON NOVARTIS AG (CH) 2013-06-13 US disclosed