SCHEMBL2838402

SCHEMBL2838402

C=CC(=O)N(CCCC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.42
ZDHHC2 Q9UIJ5 2/20 0.42
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
FAAH O00519 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRA P10827 5/20 0.32
THRB P10828 5/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL23420701 0.90 ZDHHC20 (0.39) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL23420285 0.90 ZDHHC20 (0.35) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL16117656 0.88 ZDHHC20 (0.38) ZDHHC20ZDHHC2TSHRHPGDCA12
SCHEMBL23421666 0.88 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRALDH1A1CYP3A4
SCHEMBL23420698 0.88 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRALDH1A1CYP3A4
SCHEMBL23420948 0.86 ALDH1A1 (0.33) ZDHHC20ZDHHC2TSHRALDH1A1THRA
SCHEMBL21214157 0.83 LMNA (0.33) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL16117666 0.80 ZDHHC20 (0.31) ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL20125868 0.80 TSHR (0.39) ZDHHC20ZDHHC2TSHRHPGDALDH1A1
SCHEMBL20943430 0.79 ALDH1A1 (0.37) ZDHHC20ZDHHC2TSHRALDH1A1

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
WO-2010121042-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS FLUITEC INTERNATIONAL (US) 2010-10-21 WO disclosed