SCHEMBL8897523

SCHEMBL8897523

[CH2]CCCC(=O)OCCOC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
TSHR P16473 5/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4847373 0.87 DGKA (0.43) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL1033327 0.87 DGKA (0.64) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL813660 0.87 DGKA (0.58) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL813905 0.87 DGKA (0.58) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL28922182 0.85 DGKA (0.68) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL12200847 0.83 DGKA (0.59) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL813361 0.82 ADRA2A (0.54) DGKATSHRADRA2AADRA1ADNM1
SCHEMBL4854701 0.82 DGKA (0.39) DGKATSHRADRA2AADRA1AALDH1A1
SCHEMBL2250899 0.81 DGKA (0.69) DGKATSHRDNM1ALDH1A1MAPT
SCHEMBL128495 0.81 DGKA (0.57) DGKATSHRADRA2AADRA1ADNM1

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