SCHEMBL7940126

SCHEMBL7940126

Cc1cc(CNCCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.68
SCN2A Q99250 2/20 0.57
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 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
SCHEMBL7942521 0.96 GSR (0.66) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL7942423 0.91 GSR (0.82) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL7943330 0.91 GSR (0.81) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL7941177 0.86 GSR (0.79) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL11663486 0.86 GSR (0.56) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL9181662 0.81 GSR (0.75) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL7933373 0.81 GSR (1.00) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL31169456 0.81 GSR (0.75) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL9183204 0.80 GAA (0.52) GSRSCN2ACYP1A2CYP2C9CYP2C19
SCHEMBL9179922 0.80 GSR (0.73) GSRSCN2ACYP1A2CYP2C9CYP2C19

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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed