SCHEMBL410753

SCHEMBL410753

O=C(CCCCCC/C=C/CCCCO)OCCCCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TNF P01375 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
PARP1 P09874 1/20 0.33
MGLL Q99685 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL410109 1.00 LMNA (0.35) LMNAKDM4ETNFTDP1PARP1
SCHEMBL12172881 1.00 LMNA (0.35) LMNAKDM4ETNFTDP1PARP1
SCHEMBL409641 0.83 TDP1 (0.45) LMNATDP1PARP1MGLLSMN1; SMN2
SCHEMBL14306505 0.74 GPR3 (0.39) LMNATDP1GAASMN1; SMN2ALDH1A1
SCHEMBL29366177 0.73 TDP1 (0.51) KDM4ETDP1MGLLSMN1; SMN2ALDH1A1
SCHEMBL4600442 0.72 ALDH1A1 (0.60) KDM4ETDP1TP53GAAALDH1A1
SCHEMBL21149854 0.68 MGLL (0.55) TDP1MGLLALDH1A1CYP3A4
SCHEMBL17718734 0.68 ALDH1A1 (0.51) LMNAKDM4ETDP1GAASMN1; SMN2
SCHEMBL1997693 0.67 TDP1 (0.50) LMNAKDM4ETDP1PARP1GAA
SCHEMBL17718735 0.66 ALDH1A1 (0.52) LMNAKDM4EGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8652723-B2 Toner particles comprising colorant-polyesters XEROX CORPORATION (US) 2014-02-18 US disclosed
US-20120065359-A1 COLORANT-POLYESTERS AND METHODS OF PRODUCING COLORANT-POLYESTERS XEROX CORPORATION (US) 2012-03-15 US disclosed