SCHEMBL7940433

SCHEMBL7940433

CC(C)(C)c1cccc(CNCCCO)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
GSR P00390 2/20 0.45
CA12 O43570 5/20 0.44
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCN2A Q99250 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MPO P05164 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCN8A Q9UQD0 1/20 0.39
CHRM2 P08172 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7944926 0.95 CA2 (0.46) CA2GSRCA12CA9KDM4E
SCHEMBL7943010 0.91 GSR (0.55) CA2GSRCA12CA9KDM4E
SCHEMBL15512896 0.85 CA2 (0.59) CA2GSRCA12TSHRSCN2A
SCHEMBL6567771 0.79 CA2 (0.55) CA2KDM4ETSHRGABRA1GABRB2
SCHEMBL7933726 0.78 HSPA5 (0.57) CA2GSRKDM4ETSHRHSD17B10
SCHEMBL7943209 0.78 GSR (0.51) GSRKDM4ETSHRSCN2AALDH1A1
SCHEMBL6567369 0.78 CA2 (0.53) CA2TSHRGABRA1GABRB2ATM
SCHEMBL6568673 0.76 CA2 (0.52) CA2KDM4ETSHRGABRA1GABRB2
SCHEMBL6568762 0.76 CA2 (0.52) CA2KDM4ETSHRGABRA1GABRB2
SCHEMBL7933754 0.75 GAA (0.46) CA2KDM4EMEN1KMT2A

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