SCHEMBL896030

SCHEMBL896030

CCCCCCOCC(C)OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
PLA2G2C Q5R387 7/20 0.51
USP2 O75604 1/20 0.49
ADRA1D P25100 1/20 0.48
PTAFR P25105 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SPHK1 Q9NYA1 1/20 0.47
HTT P42858 1/20 0.47
LPAR5 Q9H1C0 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 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
SCHEMBL6881438 1.00 CES2 (0.52) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL466059 1.00 CES2 (0.52) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL2230535 0.98 PLA2G2C (0.49) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL896773 0.94 PLA2G2C (0.47) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL896910 0.94 PLA2G2C (0.47) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL107643 0.93 ALDH1A1 (0.47) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL6531007 0.92 TDP1 (0.46) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL19064961 0.92 TDP1 (0.46) CES2PLA2G2CUSP2ADRA1DPTAFR
Water SCHEMBL27447449 0.91 ALDH1A1 (0.45) CES2PLA2G2CUSP2ADRA1DPTAFR
SCHEMBL27550833 0.91 LMNA (0.54) PLA2G2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759989-B2 Temperature-stable paraffin inhibitor compositions ECOLAB USA INC. (US) 2020-09-01 US disclosed
EP-3400369-A1 TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS Ecolab Usa Inc. (US) 2018-11-14 EP disclosed
WO-2017120286-A1 TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS ECOLAB USA INC. (US) 2017-07-13 WO disclosed
US-20170190949-A1 TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS NORRISEAL-WELLMARK, INC. 2017-07-06 US disclosed
US-20120082791-A1 Coating Composition Amenable to Elastomeric Substrates LIVERSAGE ROBERT RICHARD (US) 2012-04-05 US disclosed