SCHEMBL8894559

SCHEMBL8894559

[CH2]CCOC(=O)CCCCCCCCCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.77
DNM1 Q05193 1/20 0.62
TSHR P16473 1/20 0.59
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
PAM P19021 2/20 0.58
MAPT P10636 1/20 0.55
NAAA Q02083 1/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2C P28335 1/20 0.51

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
SCHEMBL5385058 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL8896965 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL7837014 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL3502039 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL5387189 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL7839076 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL7829125 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL938867 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL8893920 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL8893739 1.00 DGKA (0.77) DGKADNM1TSHRPRSS1PRSS2

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed