SCHEMBL3625286

SCHEMBL3625286

CCCOc1cc(OCCC)c(C(=O)O)c(OCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
PLA2G2A P14555 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLK1 P53350 1/20 0.42
POLB P06746 2/20 0.42
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL13215464 0.91 PLA2G2A (0.57) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL8231553 0.83 PLA2G2A (0.50) PLA2G2ATP53TSHRNR1H4PLA2G4B
SCHEMBL8231851 0.83 THRB (0.50) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL4850809 0.82 KDM4E (0.50) PLA2G2AL3MBTL1LMNATP53TSHR
SCHEMBL13215218 0.82 PLA2G2A (0.49) PLA2G2ATP53TSHRKDM4EPLA2G4B
SCHEMBL30446490 0.81 TP53 (0.51) KMT2APLA2G2AL3MBTL1LMNATP53
SCHEMBL4963556 0.81 TP53 (0.51) KMT2APLA2G2AL3MBTL1LMNATP53
SCHEMBL13185967 0.81 LMNA (0.50) KMT2AL3MBTL1LMNATSHRPLK1
SCHEMBL9712657 0.81 KMT2A (0.57) KMT2AL3MBTL1LMNAMEN1ALDH1A1
SCHEMBL13414068 0.81 PLAU (0.46) KMT2APLA2G2ATP53POLBCASP6

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
EP-1739151-B1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 EP disclosed