SCHEMBL19976554

SCHEMBL19976554

COCCOCCC(=O)NCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
EPHX2 P34913 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL25602351 0.91 HPGD (0.50) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL101437 0.90 HPGD (0.56) HPGDTSHRCYP2D6CYP2C19MMP1
SCHEMBL14577252 0.89 HPGD (0.53) HPGDTSHRCYP2D6CYP2C19MMP1
SCHEMBL23729797 0.86 HPGD (0.44) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL25524815 0.86 LMNA (0.43) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL30503498 0.84 HPGD (0.43) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL23729880 0.84 HPGD (0.43) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL18383666 0.84 HPGD (0.45) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL101552 0.84 HPGD (0.45) HPGDCYP2D6CYP2C19MMP1MMP8
SCHEMBL12751964 0.83 TSHR (0.40) HPGDTSHREPHX2KMT2AMEN1

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed