SCHEMBL10548844

SCHEMBL10548844

C#C[CH]c1ccc(Cl)c(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.33
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
AR P10275 1/20 0.33
P2RY1 P47900 1/20 0.33
MAPK8 P45983 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10546822 0.85 CRHBP (0.35) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL10544184 0.84 TTR (0.41) TTRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL10547910 0.84 L3MBTL1 (0.45) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL10549664 0.83 ALDH1A1 (0.46) CYP1A2CYP3A4LMNAALDH1A1MAPT
SCHEMBL10547615 0.81 TTR (0.41) TTRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10546981 0.81 TTR (0.44) TTRCYP1A2CYP2C19KMT2ALMNA
SCHEMBL10547895 0.81 TTR (0.41) TTRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL8187061 0.79 TTR (0.64) TTRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL10544839 0.78 AR (0.39) TTRCYP3A4KMT2AMEN1GAA
SCHEMBL10973887 0.76 LTA4H (0.50) KMT2AMEN1LMNAALDH1A1LTA4H

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-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed