SCHEMBL20123849

SCHEMBL20123849

CCCCOCC(O)CNCCCCOCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CASR P41180 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PLA2G2C Q5R387 2/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL12886458 0.90 USP2 (0.56) USP2HTTKDM4ECASRCYP1A2
SCHEMBL14198102 0.84 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL8578447 0.84 KDM4E (0.49) USP2HTTKDM4ECASRCYP1A2
SCHEMBL12761111 0.84 HTT (0.51) USP2HTTKDM4ECASRCYP1A2
SCHEMBL11232438 0.83 HTT (0.54) USP2HTTKDM4ECASRCYP1A2
SCHEMBL15393759 0.83 USP2 (0.61) USP2HTTKDM4ECASRCYP1A2
SCHEMBL21019381 0.83 USP2 (0.61) USP2HTTKDM4ECASRCYP1A2
SCHEMBL17188506 0.83 KDM4E (0.48) USP2HTTKDM4ECASRALDH1A1
SCHEMBL8453588 0.83 USP2 (0.60) USP2HTTKDM4ECASRCYP1A2
SCHEMBL11023778 0.82 HTT (0.62) USP2HTTKDM4ECASRCYP1A2

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
EP-3318613-A1 COATING AGENT AND MEDICAL INSTRUMENT SURFACE TREATED WITH COATING AGENT Terumo Kabushiki Kaisha (JP) 2018-05-09 EP disclosed